5-acetyl-4-methyloxolan-2-one

C7H10O3 — CID 14713998

IUPAC5-acetyl-4-methyloxolan-2-one
SMILESCC(=O)C1OC(=O)CC1C
InChIInChI=1S/C7H10O3/c1-4-3-6(9)10-7(4)5(2)8/h4,7H,3H2,1-2H3
InChIKeyDXGSUSHZJURHIN-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.53
Rot. Bonds1

About 5-acetyl-4-methyloxolan-2-one

5-acetyl-4-methyloxolan-2-one (PubChem CID 14713998) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 5-acetyl-4-methyloxolan-2-one.

Molecular Properties

Compound Name5-acetyl-4-methyloxolan-2-one
PubChem CID14713998
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name5-acetyl-4-methyloxolan-2-one
SMILESCC(=O)C1OC(=O)CC1C
InChIInChI=1S/C7H10O3/c1-4-3-6(9)10-7(4)5(2)8/h4,7H,3H2,1-2H3
InChIKeyDXGSUSHZJURHIN-UHFFFAOYSA-N
XLogP0.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-5-oxooxolane-2,3-dicarboxylic acid;5-oxooxolane-2,3-dicarboxylic acid
CID 160880182
[(2R,3R)-3-methyl-5-oxooxolan-2-yl]methyl acetate
CID 100952681
(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one
CID 10820549
4-methyloxetan-2-one;prop-2-enoic acid
CID 174538914
(4R,5R)-4-methyl-5-(3-methylbut-2-enyl)oxolan-2-one
CID 13367846
[2-methyl-1-(3-methyl-5-oxooxolan-2-yl)propyl] acetate
CID 155198619
(4S,5S)-5-(2-hydroxyethyl)-4-methyloxolan-2-one
CID 131131118
5-bromo-4,6-dimethyloxan-2-one
CID 130020674
(4S,5R)-4-methyl-5-(trifluoromethyl)oxolan-2-one
CID 131863829
(4S,5R)-5-[(2S)-1-hydroxypropan-2-yl]-4-methyloxolan-2-one
CID 102210599
(4S,5R,6R)-5-acetyl-4,6-diphenyloxan-2-one
CID 15448194
bis(trimethylsilyl) 5-oxooxolane-2,3-dicarboxylate
CID 553088

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-methyloxolan-2-one?
The IUPAC name of 5-acetyl-4-methyloxolan-2-one (CID 14713998) is 5-acetyl-4-methyloxolan-2-one.
What is the SMILES notation for 5-acetyl-4-methyloxolan-2-one?
The canonical SMILES for 5-acetyl-4-methyloxolan-2-one is CC(=O)C1OC(=O)CC1C.
What is the InChIKey of 5-acetyl-4-methyloxolan-2-one?
The InChIKey is DXGSUSHZJURHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-3-6(9)10-7(4)5(2)8/h4,7H,3H2,1-2H3.
What are the key properties of 5-acetyl-4-methyloxolan-2-one?
5-acetyl-4-methyloxolan-2-one has a molecular weight of 142.15 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-methyloxolan-2-one is sourced from PubChem (CID 14713998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).