2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-ol

C20H34O2 — CID 74960055

IUPAC2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-ol
SMILESCC1=CCCC2(C)OC2CC2(C)CCC(C(C)(C)O)C2CC1
InChIInChI=1S/C20H34O2/c1-14-7-6-11-20(5)17(22-20)13-19(4)12-10-15(18(2,3)21)16(19)9-8-14/h7,15-17,21H,6,8-13H2,1-5H3
InChIKeyYAAAQPPNZGJCNT-UHFFFAOYSA-N
MW306.49 g/mol
LogP4.86
Rot. Bonds1

About 2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-ol

2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-ol (PubChem CID 74960055) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-ol
PubChem CID74960055
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-ol
SMILESCC1=CCCC2(C)OC2CC2(C)CCC(C(C)(C)O)C2CC1
InChIInChI=1S/C20H34O2/c1-14-7-6-11-20(5)17(22-20)13-19(4)12-10-15(18(2,3)21)16(19)9-8-14/h7,15-17,21H,6,8-13H2,1-5H3
InChIKeyYAAAQPPNZGJCNT-UHFFFAOYSA-N
XLogP4.86
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-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 2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-ol?
The IUPAC name of 2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-ol (CID 74960055) is 2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-ol.
What is the SMILES notation for 2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-ol?
The canonical SMILES for 2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-ol is CC1=CCCC2(C)OC2CC2(C)CCC(C(C)(C)O)C2CC1.
What is the InChIKey of 2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-ol?
The InChIKey is YAAAQPPNZGJCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-14-7-6-11-20(5)17(22-20)13-19(4)12-10-15(18(2,3)21)16(19)9-8-14/h7,15-17,21H,6,8-13H2,1-5H3.
What are the key properties of 2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-ol?
2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-ol has a molecular weight of 306.49 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5,9-trimethyl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-13-yl)propan-2-ol is sourced from PubChem (CID 74960055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).