(1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol

C10H18O2 — CID 139094019

IUPAC(1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol
SMILESOCC[C@@H]1C[C@H]2CC[C@@H]1[C@@H](O)C2
InChIInChI=1S/C10H18O2/c11-4-3-8-5-7-1-2-9(8)10(12)6-7/h7-12H,1-6H2/t7-,8-,9+,10+/m1/s1
InChIKeyJQMZPSZIJAWLRY-IMSYWVGJSA-N
MW170.25 g/mol
LogP1.17
Rot. Bonds2

About (1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol

(1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol (PubChem CID 139094019) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name(1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol
PubChem CID139094019
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol
SMILESOCC[C@@H]1C[C@H]2CC[C@@H]1[C@@H](O)C2
InChIInChI=1S/C10H18O2/c11-4-3-8-5-7-1-2-9(8)10(12)6-7/h7-12H,1-6H2/t7-,8-,9+,10+/m1/s1
InChIKeyJQMZPSZIJAWLRY-IMSYWVGJSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol 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,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol?
The IUPAC name of (1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol (CID 139094019) is (1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for (1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol?
The canonical SMILES for (1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol is OCC[C@@H]1C[C@H]2CC[C@@H]1[C@@H](O)C2.
What is the InChIKey of (1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol?
The InChIKey is JQMZPSZIJAWLRY-IMSYWVGJSA-N. The full InChI is InChI=1S/C10H18O2/c11-4-3-8-5-7-1-2-9(8)10(12)6-7/h7-12H,1-6H2/t7-,8-,9+,10+/m1/s1.
What are the key properties of (1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol?
(1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol has a molecular weight of 170.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,6S)-6-(2-hydroxyethyl)bicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 139094019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).