Consensus flow list

Trans-3-octene

fo-678967b24912cb8f

Identity

Type
Neutral molecule
CAS
14919-01-8
EC
238-990-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Trans-3-octene

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YCTDZYMMFQCTEO-FNORWQNLSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h5,7H,3-4,6,8H2,1-2H3/b7-5+
Isomeric SMILES string chemrof:isomeric_smiles_string CC/C=C/CCCC
IUPAC name chemrof:IUPAC_name Trans-3-octene
Molecular formula chemrof:molecular_formula C8H16
Molecular mass chemrof:molecular_mass 112.216
Monoisotopic mass chemrof:monoisotopic_mass 112.1252, 112.125201
SMILES string chemrof:smiles_string CCC=CCCCC

Known URLs

19

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=14919-01-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88863 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.035.431 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.553784.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90872995 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=95418 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2A4P9KO860 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0061906 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J87.931B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J87.932K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/638228 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/16839061 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16939244 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17314143 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17602534 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19156283 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24421258 enrich_references.chebi_xrefs
reaxys reaxys:1719386 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27160872 enrich_references.pubchem_identifier_url

Elementary flows

12
Flow Context Source Unit CFs
d6f8f014-7341-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
4d9a8790-3ddd-11dd-96c9-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
4d9a8790-3ddd-11dd-96c8-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-ae9d-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
4d9a8790-3ddd-11dd-96c7-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
32cd21b2-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 0
32cd21b4-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 0
32cd21b6-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 0
32cd21b8-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
32cd21b5-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 0
32cd21b3-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 0
32cd21b7-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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