1-(oxolan-2-yl)propan-2-one

C7H12O2 — CID 11126275

IUPAC1-(oxolan-2-yl)propan-2-one
SMILESCC(=O)CC1CCCO1
InChIInChI=1S/C7H12O2/c1-6(8)5-7-3-2-4-9-7/h7H,2-5H2,1H3
InChIKeyLHYVBWMBMGJLLI-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.14
Rot. Bonds2

About 1-(oxolan-2-yl)propan-2-one

1-(oxolan-2-yl)propan-2-one (PubChem CID 11126275) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-(oxolan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(oxolan-2-yl)propan-2-one
PubChem CID11126275
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name1-(oxolan-2-yl)propan-2-one
SMILESCC(=O)CC1CCCO1
InChIInChI=1S/C7H12O2/c1-6(8)5-7-3-2-4-9-7/h7H,2-5H2,1H3
InChIKeyLHYVBWMBMGJLLI-UHFFFAOYSA-N
XLogP1.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(oxolan-2-yl)propan-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 1-(oxolan-2-yl)propan-2-one?
The IUPAC name of 1-(oxolan-2-yl)propan-2-one (CID 11126275) is 1-(oxolan-2-yl)propan-2-one.
What is the SMILES notation for 1-(oxolan-2-yl)propan-2-one?
The canonical SMILES for 1-(oxolan-2-yl)propan-2-one is CC(=O)CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)propan-2-one?
The InChIKey is LHYVBWMBMGJLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-6(8)5-7-3-2-4-9-7/h7H,2-5H2,1H3.
What are the key properties of 1-(oxolan-2-yl)propan-2-one?
1-(oxolan-2-yl)propan-2-one has a molecular weight of 128.17 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)propan-2-one is sourced from PubChem (CID 11126275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).