(2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol

C20H34O2 — CID 163191128

IUPAC(2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol
SMILESC=C1CCCC(C)(C)[C@@H]1C/C=C(\C)[C@H](O)CC/C(C)=C/CO
InChIInChI=1S/C20H34O2/c1-15(12-14-21)8-11-19(22)17(3)9-10-18-16(2)7-6-13-20(18,4)5/h9,12,18-19,21-22H,2,6-8,10-11,13-14H2,1,3-5H3/b15-12+,17-9+/t18-,19-/m1/s1
InChIKeyOYWXIDXYJOXDPL-RZLWQCNPSA-N
MW306.49 g/mol
LogP4.78
Rot. Bonds7

About (2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol

(2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol (PubChem CID 163191128) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol.

Molecular Properties

Compound Name(2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol
PubChem CID163191128
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol
SMILESC=C1CCCC(C)(C)[C@@H]1C/C=C(\C)[C@H](O)CC/C(C)=C/CO
InChIInChI=1S/C20H34O2/c1-15(12-14-21)8-11-19(22)17(3)9-10-18-16(2)7-6-13-20(18,4)5/h9,12,18-19,21-22H,2,6-8,10-11,13-14H2,1,3-5H3/b15-12+,17-9+/t18-,19-/m1/s1
InChIKeyOYWXIDXYJOXDPL-RZLWQCNPSA-N
XLogP4.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,6S,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol
CID 162853452
(Z)-5-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-en-1-ol
CID 163006051
(2Z,6Z)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-dien-1-ol
CID 92530225
(2E,6E)-9-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,6-diene-1,5-diol
CID 14706914
5-[3-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-3-methyloxiran-2-yl]-3-methylpent-2-en-1-ol
CID 162888501
(2S)-2-[(3E,7E)-10-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,8-dimethyldeca-3,7-dienyl]-1,1-dimethyl-3-methylidenecyclohexane
CID 132559350
(E)-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-en-1-ol
CID 10469492
(2S)-1,1-dimethyl-3-methylidene-2-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohexane
CID 100918373
(1S,4aR,5S,8aR)-5-[(E)-4,5-dihydroxy-3-methylpent-2-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
CID 25180951
8-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]-4,4,7,8a-tetramethyl-1,2,3,4a,5,6-hexahydronaphthalene
CID 162998240
2-[(E)-5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]-1,4-dimethoxybenzene
CID 5373274
3-[6-(2,2-dimethyl-6-methylidenecyclohexyl)-4-methylhex-3-enyl]furan
CID 72726849

Frequently Asked Questions

What is the IUPAC name of (2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol?
The IUPAC name of (2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol (CID 163191128) is (2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol.
What is the SMILES notation for (2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol?
The canonical SMILES for (2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol is C=C1CCCC(C)(C)[C@@H]1C/C=C(\C)[C@H](O)CC/C(C)=C/CO.
What is the InChIKey of (2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol?
The InChIKey is OYWXIDXYJOXDPL-RZLWQCNPSA-N. The full InChI is InChI=1S/C20H34O2/c1-15(12-14-21)8-11-19(22)17(3)9-10-18-16(2)7-6-13-20(18,4)5/h9,12,18-19,21-22H,2,6-8,10-11,13-14H2,1,3-5H3/b15-12+,17-9+/t18-,19-/m1/s1.
What are the key properties of (2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol?
(2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol has a molecular weight of 306.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6R,7E)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnona-2,7-diene-1,6-diol is sourced from PubChem (CID 163191128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).