(1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one

C11H16O2 — CID 11819640

IUPAC(1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one
SMILESO=C1CC[C@]23CCC[C@H]2CC[C@]13O
InChIInChI=1S/C11H16O2/c12-9-4-6-10-5-1-2-8(10)3-7-11(9,10)13/h8,13H,1-7H2/t8-,10+,11-/m0/s1
InChIKeyNZZPMVFWQCOEMK-GDPRMGEGSA-N
MW180.25 g/mol
LogP1.66
Rot. Bonds

About (1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one

(1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one (PubChem CID 11819640) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one.

Molecular Properties

Compound Name(1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one
PubChem CID11819640
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one
SMILESO=C1CC[C@]23CCC[C@H]2CC[C@]13O
InChIInChI=1S/C11H16O2/c12-9-4-6-10-5-1-2-8(10)3-7-11(9,10)13/h8,13H,1-7H2/t8-,10+,11-/m0/s1
InChIKeyNZZPMVFWQCOEMK-GDPRMGEGSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-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 (1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one?
The IUPAC name of (1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one (CID 11819640) is (1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one.
What is the SMILES notation for (1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one?
The canonical SMILES for (1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one is O=C1CC[C@]23CCC[C@H]2CC[C@]13O.
What is the InChIKey of (1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one?
The InChIKey is NZZPMVFWQCOEMK-GDPRMGEGSA-N. The full InChI is InChI=1S/C11H16O2/c12-9-4-6-10-5-1-2-8(10)3-7-11(9,10)13/h8,13H,1-7H2/t8-,10+,11-/m0/s1.
What are the key properties of (1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one?
(1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one has a molecular weight of 180.25 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,8S)-5-hydroxytricyclo[6.3.0.01,5]undecan-4-one is sourced from PubChem (CID 11819640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).