(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol

C20H32O — CID 162893225

IUPAC(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol
SMILESC=C1CC[C@]2(O)C/C=C(\C)CC/C=C(\C)CC[C@H]1C2(C)C
InChIInChI=1S/C20H32O/c1-15-7-6-8-16(2)11-13-20(21)14-12-17(3)18(10-9-15)19(20,4)5/h7,11,18,21H,3,6,8-10,12-14H2,1-2,4-5H3/b15-7+,16-11+/t18-,20-/m1/s1
InChIKeyCJLCDNWQBLJCEZ-HLFWTJLRSA-N
MW288.48 g/mol
LogP5.57
Rot. Bonds

About (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol

(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol (PubChem CID 162893225) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol.

Molecular Properties

Compound Name(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol
PubChem CID162893225
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol
SMILESC=C1CC[C@]2(O)C/C=C(\C)CC/C=C(\C)CC[C@H]1C2(C)C
InChIInChI=1S/C20H32O/c1-15-7-6-8-16(2)11-13-20(21)14-12-17(3)18(10-9-15)19(20,4)5/h7,11,18,21H,3,6,8-10,12-14H2,1-2,4-5H3/b15-7+,16-11+/t18-,20-/m1/s1
InChIKeyCJLCDNWQBLJCEZ-HLFWTJLRSA-N
XLogP5.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-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

Alpha-eudesmol
CID 92762
epi-alpha-Cadinol
CID 160799
Alpha-Cadinol
CID 10398656
(1R,2R,4aS,8aS)-1-((3E)-6-((1S)-2,2-Dimethyl-6-methylenecyclohexyl)-4-methyl-3-hexenyl)decahydro-2,5,5,8a-tetramethyl-2-naphthalenol
CID 12305858
2-Naphthalenemethanol, 1,2,3,4,4a,5,6,8a-octahydro-alpha,alpha,4a,8-tetramethyl-, (2R-(2alpha,4aalpha,8abeta))-
CID 5317269
(1R,2R,4aS,8aS)-Decahydro-2,5,5,8a-tetramethyl-1-((2Z)-3-methyl-2,4-pentadien-1-yl)-2-naphthalenol
CID 643723
delta-Cadinol
CID 3084311
Valerianol
CID 9859337
Chamomillol
CID 102095305
(+)-Epicubenol
CID 11831045
epi-alpha-Muurolol
CID 3084331
Cadin-4-en-10-ol
CID 519662

Frequently Asked Questions

What is the IUPAC name of (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol?
The IUPAC name of (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol (CID 162893225) is (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol.
What is the SMILES notation for (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol?
The canonical SMILES for (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol is C=C1CC[C@]2(O)C/C=C(\C)CC/C=C(\C)CC[C@H]1C2(C)C.
What is the InChIKey of (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol?
The InChIKey is CJLCDNWQBLJCEZ-HLFWTJLRSA-N. The full InChI is InChI=1S/C20H32O/c1-15-7-6-8-16(2)11-13-20(21)14-12-17(3)18(10-9-15)19(20,4)5/h7,11,18,21H,3,6,8-10,12-14H2,1-2,4-5H3/b15-7+,16-11+/t18-,20-/m1/s1.
What are the key properties of (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol?
(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-dien-1-ol is sourced from PubChem (CID 162893225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).