(3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol

C20H34O — CID 5377475

IUPAC(3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol
SMILESC/C1=C/CC/C(C)=C/CC2CCC(C)(O)C(CC1)C2(C)C
InChIInChI=1S/C20H34O/c1-15-7-6-8-16(2)10-12-18-19(3,4)17(11-9-15)13-14-20(18,5)21/h8-9,17-18,21H,6-7,10-14H2,1-5H3/b15-9+,16-8-
InChIKeyCQWSCMMFUZYKBO-MVTUEYSXSA-N
MW290.49 g/mol
LogP5.65
Rot. Bonds

About (3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol

(3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol (PubChem CID 5377475) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol.

Molecular Properties

Compound Name(3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol
PubChem CID5377475
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol
SMILESC/C1=C/CC/C(C)=C/CC2CCC(C)(O)C(CC1)C2(C)C
InChIInChI=1S/C20H34O/c1-15-7-6-8-16(2)10-12-18-19(3,4)17(11-9-15)13-14-20(18,5)21/h8-9,17-18,21H,6-7,10-14H2,1-5H3/b15-9+,16-8-
InChIKeyCQWSCMMFUZYKBO-MVTUEYSXSA-N
XLogP5.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol?
The IUPAC name of (3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol (CID 5377475) is (3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol.
What is the SMILES notation for (3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol?
The canonical SMILES for (3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol is C/C1=C/CC/C(C)=C/CC2CCC(C)(O)C(CC1)C2(C)C.
What is the InChIKey of (3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol?
The InChIKey is CQWSCMMFUZYKBO-MVTUEYSXSA-N. The full InChI is InChI=1S/C20H34O/c1-15-7-6-8-16(2)10-12-18-19(3,4)17(11-9-15)13-14-20(18,5)21/h8-9,17-18,21H,6-7,10-14H2,1-5H3/b15-9+,16-8-.
What are the key properties of (3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol?
(3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol has a molecular weight of 290.49 g/mol, XLogP of 5.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7Z)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca-3,7-dien-12-ol is sourced from PubChem (CID 5377475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).