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

C20H32O — CID 56951445

IUPAC(3E,5E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol
SMILESC/C1=C\C[C@@H](/C(C)=C/C=C/C(C)(C)O)CC/C(C)=C/CC1
InChIInChI=1S/C20H32O/c1-16-8-6-9-17(2)12-14-19(13-11-16)18(3)10-7-15-20(4,5)21/h7-8,10,12,15,19,21H,6,9,11,13-14H2,1-5H3/b15-7+,16-8+,17-12+,18-10+/t19-/m0/s1
InChIKeyWHRVEMNVMSIMLA-LBDSQGMQSA-N
MW288.48 g/mol
LogP5.73
Rot. Bonds3

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

(3E,5E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol (PubChem CID 56951445) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (3E,5E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E,5E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol
PubChem CID56951445
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(3E,5E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol
SMILESC/C1=C\C[C@@H](/C(C)=C/C=C/C(C)(C)O)CC/C(C)=C/CC1
InChIInChI=1S/C20H32O/c1-16-8-6-9-17(2)12-14-19(13-11-16)18(3)10-7-15-20(4,5)21/h7-8,10,12,15,19,21H,6,9,11,13-14H2,1-5H3/b15-7+,16-8+,17-12+,18-10+/t19-/m0/s1
InChIKeyWHRVEMNVMSIMLA-LBDSQGMQSA-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'}

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

(R)-2,7(14),9-Bisabolatrien-11-ol
CID 101417476
alpha-Cembratriene-ol
CID 10859245
Thunbergol
CID 5363523
Isocembrol
CID 5317085
(1R,4S)-4-Isopropyl-1,7,11-trimethyl-2,7,11-cyclotetradecatrien-1-ol
CID 10946210
(2E,5E,7E,11E)-1,5,11-trimethyl-8-propan-2-ylcyclotetradeca-2,5,7,11-tetraen-1-ol
CID 21724351
(1S,2Z,4E,7E,11E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-2,4,7,11-tetraen-1-ol
CID 45267132
(1R,2E,4R,7E,11E)-1,7,11-trimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 12444348
(3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol
CID 163019567
(4E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,4,6,10,14-pentaen-3-ol
CID 10017008
(3E,5E)-6-cyclohexyl-2-methylhepta-3,5-dien-2-ol
CID 118715380
(3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol
CID 118715382

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol?
The IUPAC name of (3E,5E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol (CID 56951445) is (3E,5E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol.
What is the SMILES notation for (3E,5E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol?
The canonical SMILES for (3E,5E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol is C/C1=C\C[C@@H](/C(C)=C/C=C/C(C)(C)O)CC/C(C)=C/CC1.
What is the InChIKey of (3E,5E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol?
The InChIKey is WHRVEMNVMSIMLA-LBDSQGMQSA-N. The full InChI is InChI=1S/C20H32O/c1-16-8-6-9-17(2)12-14-19(13-11-16)18(3)10-7-15-20(4,5)21/h7-8,10,12,15,19,21H,6,9,11,13-14H2,1-5H3/b15-7+,16-8+,17-12+,18-10+/t19-/m0/s1.
What are the key properties of (3E,5E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol?
(3E,5E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-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,5E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol is sourced from PubChem (CID 56951445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).