8-ethylidene-3-methyldodeca-2,4,9-triene

C15H24 — CID 123858156

IUPAC8-ethylidene-3-methyldodeca-2,4,9-triene
SMILESCC=C(C)C=CCCC(C=CCC)=CC
InChIInChI=1S/C15H24/c1-5-8-12-15(7-3)13-10-9-11-14(4)6-2/h6-9,11-12H,5,10,13H2,1-4H3
InChIKeyAIRNWRROWBPZHF-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.20
Rot. Bonds6

About 8-ethylidene-3-methyldodeca-2,4,9-triene

8-ethylidene-3-methyldodeca-2,4,9-triene (PubChem CID 123858156) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 8-ethylidene-3-methyldodeca-2,4,9-triene.

Molecular Properties

Compound Name8-ethylidene-3-methyldodeca-2,4,9-triene
PubChem CID123858156
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name8-ethylidene-3-methyldodeca-2,4,9-triene
SMILESCC=C(C)C=CCCC(C=CCC)=CC
InChIInChI=1S/C15H24/c1-5-8-12-15(7-3)13-10-9-11-14(4)6-2/h6-9,11-12H,5,10,13H2,1-4H3
InChIKeyAIRNWRROWBPZHF-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
(2E,4E,6Z,8E)-3,5,7-trimethylundeca-2,4,6,8-tetraene
CID 14656048
5-[(Z,3Z)-3-ethylidenehept-4-enyl]cyclopenta-1,3-diene
CID 143194650
(3E,5Z)-4-methylocta-3,5-diene
CID 171633334
(3E,5E,7E)-5-ethyl-7-methylundeca-3,5,7-triene
CID 56936064
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
(2Z,7Z)-3,7-dimethylnona-2,4,7-triene
CID 143472362
ethane;ethene;ethylbenzene;(Z,5Z)-5-ethylideneoct-3-ene
CID 142354588
(3E)-4-methyldeca-3,5-diene
CID 173452678
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(2E,4E,8S)-3,8,12-trimethyltrideca-2,4,11-triene
CID 134982878
1-(2-ethylidenehex-3-enyl)triazole
CID 123835453

Frequently Asked Questions

What is the IUPAC name of 8-ethylidene-3-methyldodeca-2,4,9-triene?
The IUPAC name of 8-ethylidene-3-methyldodeca-2,4,9-triene (CID 123858156) is 8-ethylidene-3-methyldodeca-2,4,9-triene.
What is the SMILES notation for 8-ethylidene-3-methyldodeca-2,4,9-triene?
The canonical SMILES for 8-ethylidene-3-methyldodeca-2,4,9-triene is CC=C(C)C=CCCC(C=CCC)=CC.
What is the InChIKey of 8-ethylidene-3-methyldodeca-2,4,9-triene?
The InChIKey is AIRNWRROWBPZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-5-8-12-15(7-3)13-10-9-11-14(4)6-2/h6-9,11-12H,5,10,13H2,1-4H3.
What are the key properties of 8-ethylidene-3-methyldodeca-2,4,9-triene?
8-ethylidene-3-methyldodeca-2,4,9-triene has a molecular weight of 204.36 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethylidene-3-methyldodeca-2,4,9-triene is sourced from PubChem (CID 123858156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).