3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol

C20H34O2 — CID 163110882

IUPAC3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol
SMILESCC1=CC2OC(C)(CCCCC(C)=CCC1)C(O)C2C(C)C
InChIInChI=1S/C20H34O2/c1-14(2)18-17-13-16(4)11-8-10-15(3)9-6-7-12-20(5,22-17)19(18)21/h10,13-14,17-19,21H,6-9,11-12H2,1-5H3
InChIKeyLRGUZFRBEPFAAB-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.02
Rot. Bonds1

About 3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol

3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol (PubChem CID 163110882) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol.

Molecular Properties

Compound Name3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol
PubChem CID163110882
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol
SMILESCC1=CC2OC(C)(CCCCC(C)=CCC1)C(O)C2C(C)C
InChIInChI=1S/C20H34O2/c1-14(2)18-17-13-16(4)11-8-10-15(3)9-6-7-12-20(5,22-17)19(18)21/h10,13-14,17-19,21H,6-9,11-12H2,1-5H3
InChIKeyLRGUZFRBEPFAAB-UHFFFAOYSA-N
XLogP5.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol?
The IUPAC name of 3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol (CID 163110882) is 3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol.
What is the SMILES notation for 3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol?
The canonical SMILES for 3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol is CC1=CC2OC(C)(CCCCC(C)=CCC1)C(O)C2C(C)C.
What is the InChIKey of 3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol?
The InChIKey is LRGUZFRBEPFAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-14(2)18-17-13-16(4)11-8-10-15(3)9-6-7-12-20(5,22-17)19(18)21/h10,13-14,17-19,21H,6-9,11-12H2,1-5H3.
What are the key properties of 3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol?
3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol has a molecular weight of 306.49 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,12-trimethyl-14-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-2,6-dien-13-ol is sourced from PubChem (CID 163110882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).