(1S,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one

C15H22O2 — CID 10243130

IUPAC(1S,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one
SMILESC=C1C[C@]2(O)CCCCC[C@@]23CCC(=O)C[C@@H]13
InChIInChI=1S/C15H22O2/c1-11-10-15(17)7-4-2-3-6-14(15)8-5-12(16)9-13(11)14/h13,17H,1-10H2/t13-,14-,15+/m0/s1
InChIKeyBYFKSXQVWAOJPQ-SOUVJXGZSA-N
MW234.34 g/mol
LogP3.00
Rot. Bonds

About (1S,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one

(1S,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one (PubChem CID 10243130) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (1S,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one.

Molecular Properties

Compound Name(1S,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one
PubChem CID10243130
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(1S,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one
SMILESC=C1C[C@]2(O)CCCCC[C@@]23CCC(=O)C[C@@H]13
InChIInChI=1S/C15H22O2/c1-11-10-15(17)7-4-2-3-6-14(15)8-5-12(16)9-13(11)14/h13,17H,1-10H2/t13-,14-,15+/m0/s1
InChIKeyBYFKSXQVWAOJPQ-SOUVJXGZSA-N
XLogP3.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one 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,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one?
The IUPAC name of (1S,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one (CID 10243130) is (1S,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one.
What is the SMILES notation for (1S,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one?
The canonical SMILES for (1S,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one is C=C1C[C@]2(O)CCCCC[C@@]23CCC(=O)C[C@@H]13.
What is the InChIKey of (1S,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one?
The InChIKey is BYFKSXQVWAOJPQ-SOUVJXGZSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-10-15(17)7-4-2-3-6-14(15)8-5-12(16)9-13(11)14/h13,17H,1-10H2/t13-,14-,15+/m0/s1.
What are the key properties of (1S,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one?
(1S,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one has a molecular weight of 234.34 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,9R)-9-hydroxy-7-methylidenetricyclo[7.5.0.01,6]tetradecan-4-one is sourced from PubChem (CID 10243130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).