(2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol

C20H34O — CID 6476773

IUPAC(2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol
SMILESC=C1CCCC(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H34O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h8,13,19,21H,3,6-7,9-12,14-15H2,1-2,4-5H3/b16-8+,17-13+/t19-/m1/s1
InChIKeyYHXQJKUUMBTWSB-SOXCBWEDSA-N
MW290.49 g/mol
LogP5.81
Rot. Bonds7

About (2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol

(2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol (PubChem CID 6476773) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol
PubChem CID6476773
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol
SMILESC=C1CCCC(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H34O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h8,13,19,21H,3,6-7,9-12,14-15H2,1-2,4-5H3/b16-8+,17-13+/t19-/m1/s1
InChIKeyYHXQJKUUMBTWSB-SOXCBWEDSA-N
XLogP5.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol with MolForge

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Related Compounds

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CID 445354
Phytol
CID 5280435
13-cis-Retinol
CID 9904001
3,7,11,15-Tetramethyl-2-hexadecen-1-OL
CID 5366244
9-cis-Retinol
CID 9947823
11-cis-Retinol
CID 5280382
Sarcinaxanthin
CID 10941542
(13E)-Labda-7,13-dien-15-ol
CID 639636
(+)-Copalol
CID 10401988
Bergamotenol
CID 5368743
Phytol, (Z)-
CID 6430833
2-(3,3-Dimethylcyclohexylidene)ethanol
CID 6449789

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol (CID 6476773) is (2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol is C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of (2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol?
The InChIKey is YHXQJKUUMBTWSB-SOXCBWEDSA-N. The full InChI is InChI=1S/C20H34O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h8,13,19,21H,3,6-7,9-12,14-15H2,1-2,4-5H3/b16-8+,17-13+/t19-/m1/s1.
What are the key properties of (2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol?
(2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol has a molecular weight of 290.49 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol is sourced from PubChem (CID 6476773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).