Consensus flow list

2-heptene

fo-cdec332c83078bf7

Identity

Type
NeutralMolecule
CAS
6443-92-1
EC
229-242-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2-heptene

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

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OTTZHAVKAVGASB-HYXAFXHYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3-
Isomeric SMILES string chemrof:isomeric_smiles_string C/C=C\CCCC
IUPAC name chemrof:IUPAC_name (2Z)-2-Heptene
Molecular formula chemrof:molecular_formula C7H14
Molecular mass chemrof:molecular_mass 98.189
Monoisotopic mass chemrof:monoisotopic_mass 98.10955
SMILES string chemrof:smiles_string CC=CCCCC

Known URLs

9

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=6443-92-1 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:88413 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.026.584 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60896845 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/250X978P9Q enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0061892 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J147.997K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/643836 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27160269 enrich_references.pubchem_identifier_url

Elementary flows

12
Flow Context Source Unit CFs
4d9a8790-3ddd-11dd-91d3-0050c2490048 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
4d9a8790-3ddd-11dd-91d1-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
fe0acd60-3ddc-11dd-adbb-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-91d2-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
fe0acd60-3ddc-11dd-adba-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
1f31c0a9-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Agricultural EF 3.1 kg 0
1f31c0ab-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Non-agricultural EF 3.1 kg 0
1f31c0ae-6556-11dd-ad8b-0800200c9a66 Environmental → Ground → Unknown EF 3.1 kg 0
1f31c0b0-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Long-term EF 3.1 kg 0
1f31c0ac-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Ocean EF 3.1 kg 0
1f31c0aa-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Surface water EF 3.1 kg 0
1f31c0af-6556-11dd-ad8b-0800200c9a66 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-cdec332c83078bf7",
  "prefLabel": [
    {
      "@value": "2-heptene",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "(2Z)-2-Heptene",
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    },
    {
      "@value": "(Z)-2-Heptene",
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    {
      "@value": "2-Heptene, (2Z)-",
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      "@value": "2-Heptene, (Z)-",
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}

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