5-methyloxolan-2-one

C10H16O4 — CID 69397003

IUPAC5-methyloxolan-2-one
SMILESCC1CCC(=O)O1.CC1CCC(=O)O1
InChIInChI=1S/2C5H8O2/c2*1-4-2-3-5(6)7-4/h2*4H,2-3H2,1H3
InChIKeyBXEJOKIIZFHEMK-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.42
Rot. Bonds

About 5-methyloxolan-2-one

5-methyloxolan-2-one (PubChem CID 69397003) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 5-methyloxolan-2-one.

Molecular Properties

Compound Name5-methyloxolan-2-one
PubChem CID69397003
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name5-methyloxolan-2-one
SMILESCC1CCC(=O)O1.CC1CCC(=O)O1
InChIInChI=1S/2C5H8O2/c2*1-4-2-3-5(6)7-4/h2*4H,2-3H2,1H3
InChIKeyBXEJOKIIZFHEMK-UHFFFAOYSA-N
XLogP1.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyloxolan-2-one?
The IUPAC name of 5-methyloxolan-2-one (CID 69397003) 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.CC1CCC(=O)O1.
What is the InChIKey of 5-methyloxolan-2-one?
The InChIKey is BXEJOKIIZFHEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8O2/c2*1-4-2-3-5(6)7-4/h2*4H,2-3H2,1H3.
What are the key properties of 5-methyloxolan-2-one?
5-methyloxolan-2-one has a molecular weight of 200.23 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloxolan-2-one is sourced from PubChem (CID 69397003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).