Consensus flow list

2,5-dimethyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoindene

fo-6fb311fbd1256f4f

Identity

Type
Molecular complex
CAS
26472-00-4
EC
247-724-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,5-dimethyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoindene

This substance carries 6 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GUOAPVPPPVLIQQ-UHFFFAOYSA-N, GWYPAXFNCCUFMW-UHFFFAOYSA-N, HFMQJVTWHIMSQR-UHFFFAOYSA-N, IXLQKLCPCNXXOF-UHFFFAOYSA-N, IYQYZZHQSZMZIG-QYNFOATHSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H12.2C2H6/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-2/h1-2,4-5,7-10H,3,6H2;2*1-2H3, InChI=1S/C12H16/c1-12(2)6-5-10-8-3-4-9(7-8)11(10)12/h3-6,8-11H,7H2,1-2H3, InChI=1S/C12H16/c1-7-3-11-9-5-8(2)10(6-9)12(11)4-7/h4-5,9-12H,3,6H2,1-2H3/t9-,10-,11?,12?/m1/s1, InChI=1S/C12H16/c1-7-5-11-9-3-4-10(6-9)12(11)8(7)2/h3-5,8-12H,6H2,1-2H3, InChI=1S/C12H16/c1-7-8(2)12-6-11(7)9-4-3-5-10(9)12/h3-4,9-12H,5-6H2,1-2H3
Isomeric SMILES string chemrof:isomeric_smiles_string CC1=CC2[C@@H]3C[C@H](C2C1)C=C3C
IUPAC name chemrof:IUPAC_name (1S,7R)-4,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene, 4,5-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene, 5,5-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene, 8,9-dimethyltricyclo[5.2.1.02,6]deca-3,8-diene, ethane;tricyclo[5.2.1.02,6]deca-3,8-diene
Molecular formula chemrof:molecular_formula C12H16, C14H24
SMILES string chemrof:smiles_string CC.CC.C1C=CC2C1C3CC2C=C3, CC1(C=CC2C1C3CC2C=C3)C, CC1=C(C2CC1C3C2C=CC3)C, CC1=CC2C3CC(C=C3C)C2C1, CC1C2C3CC(C2C=C1C)C=C3

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=26472-00-4 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80274242 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15140107 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21894405 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3033878 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/90953326 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91886354 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q81977450 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b595bd75-7bd6-43e6-b1f0-fd9718a08694 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ab401b20-b456-4b39-a912-0a35c0a7d315 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
dcd1455d-f77f-4804-9118-add1e68a2c61 Environmental → Air → Indoor EF 3.1 kg 4
53261498-425f-4a5b-8b9c-fd07f3ab872e Environmental → Air → Long-term EF 3.1 kg 0
12b50751-5ffc-494a-b5be-70ab6050c5f9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
2357bfda-578a-449c-a15a-8670a3accd43 Environmental → Air → Unknown EF 3.1 kg 4
3f7f2a90-e688-4341-af93-2ebbc25a1bba Environmental → Ground → Agricultural EF 3.1 kg 4
7860e765-84b8-4a24-9cc4-66f77b282771 Environmental → Ground → Non-agricultural EF 3.1 kg 4
ba94dff8-136f-4555-b903-fe69d3aeb28c Environmental → Ground → Unknown EF 3.1 kg 4
a6efe332-37d8-4fcc-b0c3-a9ac01e222e7 Environmental → Water → Long-term EF 3.1 kg 0
b9e27046-2ee0-4039-a3e9-bef7f3eb4db8 Environmental → Water → Ocean EF 3.1 kg 4
1c2a6ebe-6c02-4738-8c0e-b09bde09b25e Environmental → Water → Surface water EF 3.1 kg 4
0cad18bb-5db9-473b-8c30-893df3e1be73 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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