(1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-one

C13H20O2 — CID 23650014

IUPAC(1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-one
SMILESC[C@@]12CCC[C@@]13C[C@H](O)C[C@@]3(C)C(=O)C2
InChIInChI=1S/C13H20O2/c1-11-4-3-5-13(11)7-9(14)6-12(13,2)10(15)8-11/h9,14H,3-8H2,1-2H3/t9-,11+,12+,13-/m1/s1
InChIKeyOKHIIVUGFFFEMK-LPTSXCQYSA-N
MW208.30 g/mol
LogP2.30
Rot. Bonds

About (1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-one

(1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-one (PubChem CID 23650014) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-one.

Molecular Properties

Compound Name(1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-one
PubChem CID23650014
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-one
SMILESC[C@@]12CCC[C@@]13C[C@H](O)C[C@@]3(C)C(=O)C2
InChIInChI=1S/C13H20O2/c1-11-4-3-5-13(11)7-9(14)6-12(13,2)10(15)8-11/h9,14H,3-8H2,1-2H3/t9-,11+,12+,13-/m1/s1
InChIKeyOKHIIVUGFFFEMK-LPTSXCQYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-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 (1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-one?
The IUPAC name of (1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-one (CID 23650014) is (1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-one.
What is the SMILES notation for (1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-one?
The canonical SMILES for (1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-one is C[C@@]12CCC[C@@]13C[C@H](O)C[C@@]3(C)C(=O)C2.
What is the InChIKey of (1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-one?
The InChIKey is OKHIIVUGFFFEMK-LPTSXCQYSA-N. The full InChI is InChI=1S/C13H20O2/c1-11-4-3-5-13(11)7-9(14)6-12(13,2)10(15)8-11/h9,14H,3-8H2,1-2H3/t9-,11+,12+,13-/m1/s1.
What are the key properties of (1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-one?
(1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-one has a molecular weight of 208.30 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R,8S)-3-hydroxy-5,8-dimethyltricyclo[6.3.0.01,5]undecan-6-one is sourced from PubChem (CID 23650014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).