(1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol

C20H32O — CID 162890508

IUPAC(1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol
SMILESCC(C)=CC[C@H](O)[C@@]1(C)[C@@H]2CC/C(C)=C/CC/C(C)=C/[C@@H]21
InChIInChI=1S/C20H32O/c1-14(2)9-12-19(21)20(5)17-11-10-15(3)7-6-8-16(4)13-18(17)20/h7,9,13,17-19,21H,6,8,10-12H2,1-5H3/b15-7+,16-13+/t17-,18+,19+,20+/m1/s1
InChIKeyBQXFJOXZVQPGRI-PKNCLGGESA-N
MW288.48 g/mol
LogP5.42
Rot. Bonds3

About (1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol

(1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol (PubChem CID 162890508) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is (1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol.

Molecular Properties

Compound Name(1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol
PubChem CID162890508
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name(1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol
SMILESCC(C)=CC[C@H](O)[C@@]1(C)[C@@H]2CC/C(C)=C/CC/C(C)=C/[C@@H]21
InChIInChI=1S/C20H32O/c1-14(2)9-12-19(21)20(5)17-11-10-15(3)7-6-8-16(4)13-18(17)20/h7,9,13,17-19,21H,6,8,10-12H2,1-5H3/b15-7+,16-13+/t17-,18+,19+,20+/m1/s1
InChIKeyBQXFJOXZVQPGRI-PKNCLGGESA-N
XLogP5.42
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 ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol with MolForge

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Related Compounds

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Camelliol A
CID 6451135
Gyrosanol A
CID 46848860
[(1R,4Z,8E,10R)-8,11,11-trimethyl-4-bicyclo[8.1.0]undeca-4,8-dienyl]methanol
CID 162648692
Partheniol
CID 76315918
2-[(8R,8aR)-8,8a-dimethyl-4,6,7,8-tetrahydro-3H-naphthalen-2-yl]propan-1-ol
CID 91748873

Frequently Asked Questions

What is the IUPAC name of (1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol?
The IUPAC name of (1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol (CID 162890508) is (1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol.
What is the SMILES notation for (1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol?
The canonical SMILES for (1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol is CC(C)=CC[C@H](O)[C@@]1(C)[C@@H]2CC/C(C)=C/CC/C(C)=C/[C@@H]21.
What is the InChIKey of (1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol?
The InChIKey is BQXFJOXZVQPGRI-PKNCLGGESA-N. The full InChI is InChI=1S/C20H32O/c1-14(2)9-12-19(21)20(5)17-11-10-15(3)7-6-8-16(4)13-18(17)20/h7,9,13,17-19,21H,6,8,10-12H2,1-5H3/b15-7+,16-13+/t17-,18+,19+,20+/m1/s1.
What are the key properties of (1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol?
(1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol has a molecular weight of 288.48 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-methyl-1-[(1S,2E,6E,10R,11S)-3,7,11-trimethyl-11-bicyclo[8.1.0]undeca-2,6-dienyl]pent-3-en-1-ol is sourced from PubChem (CID 162890508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).