(1S,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-one

C14H22O2 — CID 16751416

IUPAC(1S,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-one
SMILESCC1(C)C[C@]2(C)CC[C@H]3CC(O)C[C@]32C1=O
InChIInChI=1S/C14H22O2/c1-12(2)8-13(3)5-4-9-6-10(15)7-14(9,13)11(12)16/h9-10,15H,4-8H2,1-3H3/t9-,10?,13-,14+/m0/s1
InChIKeyVDXQKOARQJKGPE-JPBLIHLHSA-N
MW222.33 g/mol
LogP2.54
Rot. Bonds

About (1S,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-one

(1S,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-one (PubChem CID 16751416) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (1S,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-one.

Molecular Properties

Compound Name(1S,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-one
PubChem CID16751416
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(1S,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-one
SMILESCC1(C)C[C@]2(C)CC[C@H]3CC(O)C[C@]32C1=O
InChIInChI=1S/C14H22O2/c1-12(2)8-13(3)5-4-9-6-10(15)7-14(9,13)11(12)16/h9-10,15H,4-8H2,1-3H3/t9-,10?,13-,14+/m0/s1
InChIKeyVDXQKOARQJKGPE-JPBLIHLHSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-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,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-one?
The IUPAC name of (1S,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-one (CID 16751416) is (1S,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-one.
What is the SMILES notation for (1S,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-one?
The canonical SMILES for (1S,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-one is CC1(C)C[C@]2(C)CC[C@H]3CC(O)C[C@]32C1=O.
What is the InChIKey of (1S,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-one?
The InChIKey is VDXQKOARQJKGPE-JPBLIHLHSA-N. The full InChI is InChI=1S/C14H22O2/c1-12(2)8-13(3)5-4-9-6-10(15)7-14(9,13)11(12)16/h9-10,15H,4-8H2,1-3H3/t9-,10?,13-,14+/m0/s1.
What are the key properties of (1S,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-one?
(1S,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,8S)-10-hydroxy-3,3,5-trimethyltricyclo[6.3.0.01,5]undecan-2-one is sourced from PubChem (CID 16751416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).