(1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol

C15H22O2 — CID 135041761

IUPAC(1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol
SMILESCC1=C2C(CC1)[C@]1(C)C=C[C@@](C(C)C)(O1)[C@@H]2O
InChIInChI=1S/C15H22O2/c1-9(2)15-8-7-14(4,17-15)11-6-5-10(3)12(11)13(15)16/h7-9,11,13,16H,5-6H2,1-4H3/t11?,13-,14+,15+/m1/s1
InChIKeyGYCDISFKLAVFFK-VAUYPLMASA-N
MW234.34 g/mol
LogP2.83
Rot. Bonds1

About (1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol

(1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol (PubChem CID 135041761) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol.

Molecular Properties

Compound Name(1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol
PubChem CID135041761
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol
SMILESCC1=C2C(CC1)[C@]1(C)C=C[C@@](C(C)C)(O1)[C@@H]2O
InChIInChI=1S/C15H22O2/c1-9(2)15-8-7-14(4,17-15)11-6-5-10(3)12(11)13(15)16/h7-9,11,13,16H,5-6H2,1-4H3/t11?,13-,14+,15+/m1/s1
InChIKeyGYCDISFKLAVFFK-VAUYPLMASA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-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 (1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol?
The IUPAC name of (1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol (CID 135041761) is (1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol.
What is the SMILES notation for (1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol?
The canonical SMILES for (1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol is CC1=C2C(CC1)[C@]1(C)C=C[C@@](C(C)C)(O1)[C@@H]2O.
What is the InChIKey of (1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol?
The InChIKey is GYCDISFKLAVFFK-VAUYPLMASA-N. The full InChI is InChI=1S/C15H22O2/c1-9(2)15-8-7-14(4,17-15)11-6-5-10(3)12(11)13(15)16/h7-9,11,13,16H,5-6H2,1-4H3/t11?,13-,14+,15+/m1/s1.
What are the key properties of (1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol?
(1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol has a molecular weight of 234.34 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R,8R)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undeca-5,9-dien-7-ol is sourced from PubChem (CID 135041761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).