(1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol

C20H32O — CID 162866573

IUPAC(1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol
SMILESCC1=C[C@@H]2[C@H](CCC(C)=C[C@H](O)CC(C)=CCC1)C2(C)C
InChIInChI=1S/C20H32O/c1-14-7-6-8-15(2)13-19-18(20(19,4)5)10-9-16(3)12-17(21)11-14/h7,12-13,17-19,21H,6,8-11H2,1-5H3/t17-,18+,19-/m1/s1
InChIKeyUWTBBCCCOXADAN-CEXWTWQISA-N
MW288.48 g/mol
LogP5.42
Rot. Bonds

About (1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol

(1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol (PubChem CID 162866573) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol.

Molecular Properties

Compound Name(1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol
PubChem CID162866573
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol
SMILESCC1=C[C@@H]2[C@H](CCC(C)=C[C@H](O)CC(C)=CCC1)C2(C)C
InChIInChI=1S/C20H32O/c1-14-7-6-8-15(2)13-19-18(20(19,4)5)10-9-16(3)12-17(21)11-14/h7,12-13,17-19,21H,6,8-11H2,1-5H3/t17-,18+,19-/m1/s1
InChIKeyUWTBBCCCOXADAN-CEXWTWQISA-N
XLogP5.42
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 ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-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

(1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 164666823
(1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene
CID 162901796
(1R,2Z,6E,10E,14S)-4-hydroxy-7,11,15,15-tetramethylbicyclo[12.1.0]pentadeca-2,6,10-triene-3-carbaldehyde
CID 10638118
acetyl acetate;3,7,7-trimethylbicyclo[4.1.0]hept-2-ene
CID 174696157
(1R,3R,9R,14R)-9-hydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-6,10-dien-4-one
CID 162865179
(1R,2Z,6Z,10S,11R)-3,7,11-trimethyl-11-(4-methylpent-3-enyl)bicyclo[8.1.0]undeca-2,6-diene
CID 171666172
[(1R,4R,6E,10S)-3,7,11,11-tetramethyl-4-bicyclo[8.1.0]undeca-2,6-dienyl] acetate
CID 163185387
8,12,12-trimethylbicyclo[9.1.0]dodeca-2,7-dien-4-one
CID 74819442
5,8-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-one
CID 162994490
4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-10-ol
CID 162863170
(1R,3E,5R,7S,10Z,12S,13S,14S)-1,13-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,10-dien-2-one
CID 71561554
(1R,2E,6S,7E,9R,12E)-9-methoxy-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,12-trien-1-ol
CID 15812567

Frequently Asked Questions

What is the IUPAC name of (1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol?
The IUPAC name of (1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol (CID 162866573) is (1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol.
What is the SMILES notation for (1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol?
The canonical SMILES for (1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol is CC1=C[C@@H]2[C@H](CCC(C)=C[C@H](O)CC(C)=CCC1)C2(C)C.
What is the InChIKey of (1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol?
The InChIKey is UWTBBCCCOXADAN-CEXWTWQISA-N. The full InChI is InChI=1S/C20H32O/c1-14-7-6-8-15(2)13-19-18(20(19,4)5)10-9-16(3)12-17(21)11-14/h7,12-13,17-19,21H,6,8-11H2,1-5H3/t17-,18+,19-/m1/s1.
What are the key properties of (1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol?
(1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol has a molecular weight of 288.48 g/mol, XLogP of 5.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,14R)-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-trien-6-ol is sourced from PubChem (CID 162866573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).