Consensus flow list

2-methylpropene, Trimers

fo-a1770554e671367a

Identity

Type
Neutral molecule
CAS
7756-94-7
EC
500-001-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-methylpropene, Trimers

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 DRHABPMHZRIRAH-UHFFFAOYSA-N, QACSSVAYGPHMJG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H24/c1-10(2)6-8-12(5)9-7-11(3)4/h11-12H,1,6-9H2,2-5H3, InChI=1S/C12H24/c1-10(2)8-12(6,7)9-11(3,4)5/h8H,9H2,1-7H3
IUPAC name chemrof:IUPAC_name 2,4,4,6,6-pentamethyl-2-heptene, 2,4,4,6,6-pentamethylhept-2-ene, 2,5,8-trimethyl-1-nonene, 2,5,8-trimethylnon-1-ene
Molecular formula chemrof:molecular_formula C12H24
SMILES string chemrof:smiles_string CC(=CC(C)(C)CC(C)(C)C)C, CC(C)CCC(C)CCC(=C)C

Known URLs

10

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=39761-68-7 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=7756-94-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.049.638 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID401358193 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1BM6W5KS4L enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J261.441C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/170244 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/517073 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2324 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27252203 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bb2c67bd-03f9-4553-bf45-06359ff02d51 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1737c841-6037-4871-aa13-9ac7582447b7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3de4561a-0281-4096-b51a-f96a36eeacec Environmental → Air → Indoor EF 3.1 kg 4
15d3a315-84b9-454b-80b5-2def31b57975 Environmental → Air → Long-term EF 3.1 kg 0
0745bf95-fa3b-4697-b6fe-24e2ea3bf367 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
60400cff-b68d-434a-a36f-425014d068fa Environmental → Air → Unknown EF 3.1 kg 4
c5621447-28bb-45e6-832b-87085e8e4784 Environmental → Ground → Agricultural EF 3.1 kg 4
e909364a-0349-420d-8edd-b19b2b228389 Environmental → Ground → Non-agricultural EF 3.1 kg 4
3f42a6e3-3763-44c4-b4b7-17d60b8568bf Environmental → Ground → Unknown EF 3.1 kg 4
fa144068-5718-484c-9ad8-f470298b6d6d Environmental → Water → Long-term EF 3.1 kg 0
6064a989-5f38-4282-99e8-2bd5d0f0f600 Environmental → Water → Ocean EF 3.1 kg 4
6aedd470-cb49-4a8c-8298-4a0f455e68ac Environmental → Water → Surface water EF 3.1 kg 4
0d6efdcf-e2a4-44ec-be06-c64d34c08030 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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    },
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      "@value": "Isobutene trimer",
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    {
      "@value": "Propene, 2-methyl-, trimer",
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