5-acetyl-4,4-dimethyloxolan-2-one

C8H12O3 — CID 14108090

IUPAC5-acetyl-4,4-dimethyloxolan-2-one
SMILESCC(=O)C1OC(=O)CC1(C)C
InChIInChI=1S/C8H12O3/c1-5(9)7-8(2,3)4-6(10)11-7/h7H,4H2,1-3H3
InChIKeyFKWJFPVPTVOBBP-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.92
Rot. Bonds1

About 5-acetyl-4,4-dimethyloxolan-2-one

5-acetyl-4,4-dimethyloxolan-2-one (PubChem CID 14108090) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 5-acetyl-4,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name5-acetyl-4,4-dimethyloxolan-2-one
PubChem CID14108090
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name5-acetyl-4,4-dimethyloxolan-2-one
SMILESCC(=O)C1OC(=O)CC1(C)C
InChIInChI=1S/C8H12O3/c1-5(9)7-8(2,3)4-6(10)11-7/h7H,4H2,1-3H3
InChIKeyFKWJFPVPTVOBBP-UHFFFAOYSA-N
XLogP0.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-acetyl-4,4-dimethyloxolan-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

Related Compounds

Solerone
CID 62856
(5S)-5-Acetyldihydro-2(3H)-furanone
CID 6931886
Dihydro-5-isopropyl-4,4-dimethyl-2,3-furandione
CID 13420855
4-(Fluoromethyl)-4-propyloxolane-2,3-dione
CID 89620859
(3S,4S,5R)-3,5-diacetyl-3,4-dimethyloxolan-2-one
CID 11138070
4-Methyl-4-propyloxolane-2,3-dione
CID 13420865
[2-(2-Methyl-5-oxooxolan-2-yl)-2-oxoethyl] acetate
CID 15150149
[2-[(2S)-2-methyl-5-oxooxolan-2-yl]-2-oxoethyl] acetate
CID 134855567
4,4-Dimethyloxepane-2,6-dione
CID 14385171
5-(2-Chloroacetyl)-4,4-dimethyloxolan-2-one
CID 129922029
(R)-Solerone
CID 6931885
5-(2-Methylpropanoyl)oxolan-2-one
CID 12793943

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4,4-dimethyloxolan-2-one?
The IUPAC name of 5-acetyl-4,4-dimethyloxolan-2-one (CID 14108090) is 5-acetyl-4,4-dimethyloxolan-2-one.
What is the SMILES notation for 5-acetyl-4,4-dimethyloxolan-2-one?
The canonical SMILES for 5-acetyl-4,4-dimethyloxolan-2-one is CC(=O)C1OC(=O)CC1(C)C.
What is the InChIKey of 5-acetyl-4,4-dimethyloxolan-2-one?
The InChIKey is FKWJFPVPTVOBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-5(9)7-8(2,3)4-6(10)11-7/h7H,4H2,1-3H3.
What are the key properties of 5-acetyl-4,4-dimethyloxolan-2-one?
5-acetyl-4,4-dimethyloxolan-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4,4-dimethyloxolan-2-one is sourced from PubChem (CID 14108090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).