(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol

C20H36O — CID 86306044

IUPAC(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol
SMILESCC1=C(/C=C/C(C)CCCC(C)CCO)C(C)(C)CCC1
InChIInChI=1S/C20H36O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h11-12,16-17,21H,6-10,13-15H2,1-5H3/b12-11+
InChIKeyVMMASVCPBGCPDB-VAWYXSNFSA-N
MW292.51 g/mol
LogP5.89
Rot. Bonds8

About (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol

(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol (PubChem CID 86306044) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol.

Molecular Properties

Compound Name(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol
PubChem CID86306044
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol
SMILESCC1=C(/C=C/C(C)CCCC(C)CCO)C(C)(C)CCC1
InChIInChI=1S/C20H36O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h11-12,16-17,21H,6-10,13-15H2,1-5H3/b12-11+
InChIKeyVMMASVCPBGCPDB-VAWYXSNFSA-N
XLogP5.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 446798
Meso-Zeaxanthin
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Isocryptoxanthin
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CID 21769059

Frequently Asked Questions

What is the IUPAC name of (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol?
The IUPAC name of (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol (CID 86306044) is (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol.
What is the SMILES notation for (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol?
The canonical SMILES for (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol is CC1=C(/C=C/C(C)CCCC(C)CCO)C(C)(C)CCC1.
What is the InChIKey of (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol?
The InChIKey is VMMASVCPBGCPDB-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H36O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h11-12,16-17,21H,6-10,13-15H2,1-5H3/b12-11+.
What are the key properties of (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol?
(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol has a molecular weight of 292.51 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-8-en-1-ol is sourced from PubChem (CID 86306044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).