(1R,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-6-one

C10H14O2 — CID 11308657

IUPAC(1R,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-6-one
SMILESC[C@H]1C[C@]2(C)CC(=O)[C@H]1C=CO2
InChIInChI=1S/C10H14O2/c1-7-5-10(2)6-9(11)8(7)3-4-12-10/h3-4,7-8H,5-6H2,1-2H3/t7-,8-,10+/m0/s1
InChIKeyCIBHWRPSIMRLTJ-OYNCUSHFSA-N
MW166.22 g/mol
LogP1.90
Rot. Bonds

About (1R,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-6-one

(1R,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-6-one (PubChem CID 11308657) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1R,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-6-one.

Molecular Properties

Compound Name(1R,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-6-one
PubChem CID11308657
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1R,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-6-one
SMILESC[C@H]1C[C@]2(C)CC(=O)[C@H]1C=CO2
InChIInChI=1S/C10H14O2/c1-7-5-10(2)6-9(11)8(7)3-4-12-10/h3-4,7-8H,5-6H2,1-2H3/t7-,8-,10+/m0/s1
InChIKeyCIBHWRPSIMRLTJ-OYNCUSHFSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-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,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-6-one?
The IUPAC name of (1R,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-6-one (CID 11308657) is (1R,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-6-one.
What is the SMILES notation for (1R,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-6-one?
The canonical SMILES for (1R,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-6-one is C[C@H]1C[C@]2(C)CC(=O)[C@H]1C=CO2.
What is the InChIKey of (1R,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-6-one?
The InChIKey is CIBHWRPSIMRLTJ-OYNCUSHFSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-5-10(2)6-9(11)8(7)3-4-12-10/h3-4,7-8H,5-6H2,1-2H3/t7-,8-,10+/m0/s1.
What are the key properties of (1R,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-6-one?
(1R,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-6-one has a molecular weight of 166.22 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,9S)-1,9-dimethyl-2-oxabicyclo[3.2.2]non-3-en-6-one is sourced from PubChem (CID 11308657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).