5-methyloxolan-3-one

C5H8O2 — CID 520667

IUPAC5-methyloxolan-3-one
SMILESCC1CC(=O)CO1
InChIInChI=1S/C5H8O2/c1-4-2-5(6)3-7-4/h4H,2-3H2,1H3
InChIKeyYJZXJDJWRQIWDL-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.36
Rot. Bonds

About 5-methyloxolan-3-one

5-methyloxolan-3-one (PubChem CID 520667) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 5-methyloxolan-3-one.

Molecular Properties

Compound Name5-methyloxolan-3-one
PubChem CID520667
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name5-methyloxolan-3-one
SMILESCC1CC(=O)CO1
InChIInChI=1S/C5H8O2/c1-4-2-5(6)3-7-4/h4H,2-3H2,1H3
InChIKeyYJZXJDJWRQIWDL-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyloxolan-3-one?
The IUPAC name of 5-methyloxolan-3-one (CID 520667) is 5-methyloxolan-3-one.
What is the SMILES notation for 5-methyloxolan-3-one?
The canonical SMILES for 5-methyloxolan-3-one is CC1CC(=O)CO1.
What is the InChIKey of 5-methyloxolan-3-one?
The InChIKey is YJZXJDJWRQIWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-4-2-5(6)3-7-4/h4H,2-3H2,1H3.
What are the key properties of 5-methyloxolan-3-one?
5-methyloxolan-3-one has a molecular weight of 100.12 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloxolan-3-one is sourced from PubChem (CID 520667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).