(1S,6S,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-one

C11H16O2 — CID 11344355

IUPAC(1S,6S,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-one
SMILESC[C@@]12CCCC[C@]13C(=O)[C@H]2C[C@@H]3O
InChIInChI=1S/C11H16O2/c1-10-4-2-3-5-11(10)8(12)6-7(10)9(11)13/h7-8,12H,2-6H2,1H3/t7-,8+,10+,11+/m1/s1
InChIKeyMFLLQDADAMRNOL-IFFSRLJSSA-N
MW180.25 g/mol
LogP1.52
Rot. Bonds

About (1S,6S,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-one

(1S,6S,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-one (PubChem CID 11344355) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1S,6S,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-one.

Molecular Properties

Compound Name(1S,6S,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-one
PubChem CID11344355
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1S,6S,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-one
SMILESC[C@@]12CCCC[C@]13C(=O)[C@H]2C[C@@H]3O
InChIInChI=1S/C11H16O2/c1-10-4-2-3-5-11(10)8(12)6-7(10)9(11)13/h7-8,12H,2-6H2,1H3/t7-,8+,10+,11+/m1/s1
InChIKeyMFLLQDADAMRNOL-IFFSRLJSSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,6S,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-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,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-one?
The IUPAC name of (1S,6S,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-one (CID 11344355) is (1S,6S,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-one.
What is the SMILES notation for (1S,6S,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-one?
The canonical SMILES for (1S,6S,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-one is C[C@@]12CCCC[C@]13C(=O)[C@H]2C[C@@H]3O.
What is the InChIKey of (1S,6S,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-one?
The InChIKey is MFLLQDADAMRNOL-IFFSRLJSSA-N. The full InChI is InChI=1S/C11H16O2/c1-10-4-2-3-5-11(10)8(12)6-7(10)9(11)13/h7-8,12H,2-6H2,1H3/t7-,8+,10+,11+/m1/s1.
What are the key properties of (1S,6S,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-one?
(1S,6S,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-one has a molecular weight of 180.25 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,7S,9S)-9-hydroxy-6-methyltricyclo[5.2.1.01,6]decan-10-one is sourced from PubChem (CID 11344355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).