(1S,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-ol

C10H18O2 — CID 11298205

IUPAC(1S,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-ol
SMILESCC1(C)OCC[C@@]2(C)C[C@H](O)[C@@H]12
InChIInChI=1S/C10H18O2/c1-9(2)8-7(11)6-10(8,3)4-5-12-9/h7-8,11H,4-6H2,1-3H3/t7-,8-,10-/m0/s1
InChIKeyLXKQWLPEYMAXQP-NRPADANISA-N
MW170.25 g/mol
LogP1.57
Rot. Bonds

About (1S,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-ol

(1S,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-ol (PubChem CID 11298205) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (1S,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-ol.

Molecular Properties

Compound Name(1S,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-ol
PubChem CID11298205
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(1S,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-ol
SMILESCC1(C)OCC[C@@]2(C)C[C@H](O)[C@@H]12
InChIInChI=1S/C10H18O2/c1-9(2)8-7(11)6-10(8,3)4-5-12-9/h7-8,11H,4-6H2,1-3H3/t7-,8-,10-/m0/s1
InChIKeyLXKQWLPEYMAXQP-NRPADANISA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-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,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-ol?
The IUPAC name of (1S,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-ol (CID 11298205) is (1S,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-ol.
What is the SMILES notation for (1S,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-ol?
The canonical SMILES for (1S,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-ol is CC1(C)OCC[C@@]2(C)C[C@H](O)[C@@H]12.
What is the InChIKey of (1S,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-ol?
The InChIKey is LXKQWLPEYMAXQP-NRPADANISA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)8-7(11)6-10(8,3)4-5-12-9/h7-8,11H,4-6H2,1-3H3/t7-,8-,10-/m0/s1.
What are the key properties of (1S,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-ol?
(1S,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-ol has a molecular weight of 170.25 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S,8S)-2,2,6-trimethyl-3-oxabicyclo[4.2.0]octan-8-ol is sourced from PubChem (CID 11298205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).