9,10-dimethyloxecan-2-one

C11H20O2 — CID 102227238

IUPAC9,10-dimethyloxecan-2-one
SMILESCC1CCCCCCC(=O)OC1C
InChIInChI=1S/C11H20O2/c1-9-7-5-3-4-6-8-11(12)13-10(9)2/h9-10H,3-8H2,1-2H3
InChIKeyUNTWVLJHMQEBGY-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.91
Rot. Bonds

About 9,10-dimethyloxecan-2-one

9,10-dimethyloxecan-2-one (PubChem CID 102227238) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 9,10-dimethyloxecan-2-one.

Molecular Properties

Compound Name9,10-dimethyloxecan-2-one
PubChem CID102227238
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name9,10-dimethyloxecan-2-one
SMILESCC1CCCCCCC(=O)OC1C
InChIInChI=1S/C11H20O2/c1-9-7-5-3-4-6-8-11(12)13-10(9)2/h9-10H,3-8H2,1-2H3
InChIKeyUNTWVLJHMQEBGY-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,10-dimethyloxecan-2-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 9,10-dimethyloxecan-2-one?
The IUPAC name of 9,10-dimethyloxecan-2-one (CID 102227238) is 9,10-dimethyloxecan-2-one.
What is the SMILES notation for 9,10-dimethyloxecan-2-one?
The canonical SMILES for 9,10-dimethyloxecan-2-one is CC1CCCCCCC(=O)OC1C.
What is the InChIKey of 9,10-dimethyloxecan-2-one?
The InChIKey is UNTWVLJHMQEBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9-7-5-3-4-6-8-11(12)13-10(9)2/h9-10H,3-8H2,1-2H3.
What are the key properties of 9,10-dimethyloxecan-2-one?
9,10-dimethyloxecan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethyloxecan-2-one is sourced from PubChem (CID 102227238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).