5-methyloxolan-2-one

C5H8O2 — CID 7921

IUPAC5-methyloxolan-2-one
SMILESCC1CCC(=O)O1
InChIInChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3
InChIKeyGAEKPEKOJKCEMS-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.71
Rot. Bonds

About 5-methyloxolan-2-one

5-methyloxolan-2-one (PubChem CID 7921) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 5-methyloxolan-2-one.

Molecular Properties

Compound Name5-methyloxolan-2-one
PubChem CID7921
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name5-methyloxolan-2-one
SMILESCC1CCC(=O)O1
InChIInChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3
InChIKeyGAEKPEKOJKCEMS-UHFFFAOYSA-N
XLogP0.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyloxolan-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

gamma-Hexalactone
CID 12756
Ethyl levulinate
CID 10883
Isopropyl valerate
CID 87598
Isopropyl levulinate
CID 89084
Dihydro-3,5-dimethyl-2(3H)-furanone
CID 21227
2-Pentanone, 5-(acetyloxy)-
CID 21258
(R)-gamma-valerolactone
CID 642783
(S)-gamma-valerolactone
CID 7057988
AC1Nrzfv
CID 5325911
(5R)-5-ethyloxolan-2-one
CID 7173971
(4S,5S)-4,5-dimethyldihydro-2(3H)-furanone
CID 11274985
Butan-2-yl pentanoate
CID 141026

Frequently Asked Questions

What is the IUPAC name of 5-methyloxolan-2-one?
The IUPAC name of 5-methyloxolan-2-one (CID 7921) is 5-methyloxolan-2-one.
What is the SMILES notation for 5-methyloxolan-2-one?
The canonical SMILES for 5-methyloxolan-2-one is CC1CCC(=O)O1.
What is the InChIKey of 5-methyloxolan-2-one?
The InChIKey is GAEKPEKOJKCEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3.
What are the key properties of 5-methyloxolan-2-one?
5-methyloxolan-2-one has a molecular weight of 100.12 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloxolan-2-one is sourced from PubChem (CID 7921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).