(3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol

C20H32O — CID 171119848

IUPAC(3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol
SMILESCC(C)=C/C=C/C(C)(O)C1C/C=C(\C)CC/C=C(\C)CC1
InChIInChI=1S/C20H32O/c1-16(2)8-7-15-20(5,21)19-13-11-17(3)9-6-10-18(4)12-14-19/h7-9,12,15,19,21H,6,10-11,13-14H2,1-5H3/b15-7+,17-9+,18-12+
InChIKeyAZYREPBLIFHXMY-PPPGBUJISA-N
MW288.48 g/mol
LogP5.73
Rot. Bonds3

About (3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol

(3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol (PubChem CID 171119848) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol
PubChem CID171119848
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol
SMILESCC(C)=C/C=C/C(C)(O)C1C/C=C(\C)CC/C=C(\C)CC1
InChIInChI=1S/C20H32O/c1-16(2)8-7-15-20(5,21)19-13-11-17(3)9-6-10-18(4)12-14-19/h7-9,12,15,19,21H,6,10-11,13-14H2,1-5H3/b15-7+,17-9+,18-12+
InChIKeyAZYREPBLIFHXMY-PPPGBUJISA-N
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol?
The IUPAC name of (3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol (CID 171119848) is (3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol.
What is the SMILES notation for (3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol?
The canonical SMILES for (3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol is CC(C)=C/C=C/C(C)(O)C1C/C=C(\C)CC/C=C(\C)CC1.
What is the InChIKey of (3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol?
The InChIKey is AZYREPBLIFHXMY-PPPGBUJISA-N. The full InChI is InChI=1S/C20H32O/c1-16(2)8-7-15-20(5,21)19-13-11-17(3)9-6-10-18(4)12-14-19/h7-9,12,15,19,21H,6,10-11,13-14H2,1-5H3/b15-7+,17-9+,18-12+.
What are the key properties of (3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol?
(3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol has a molecular weight of 288.48 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-[(3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-6-methylhepta-3,5-dien-2-ol is sourced from PubChem (CID 171119848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).