(213C)oxolan-2-one

C4H6O2 — CID 175700736

IUPAC(213C)oxolan-2-one
SMILESO=[13C]1CCCO1
InChIInChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2/i4+1
InChIKeyYEJRWHAVMIAJKC-AZXPZELESA-N
MW87.08 g/mol
LogP0.32
Rot. Bonds

About (213C)oxolan-2-one

(213C)oxolan-2-one (PubChem CID 175700736) has the molecular formula C4H6O2 and a molecular weight of 87.08 g/mol. Its IUPAC name is (213C)oxolan-2-one.

Molecular Properties

Compound Name(213C)oxolan-2-one
PubChem CID175700736
Molecular FormulaC4H6O2
Molecular Weight87.08 g/mol
Exact Mass87.04
IUPAC Name(213C)oxolan-2-one
SMILESO=[13C]1CCCO1
InChIInChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2/i4+1
InChIKeyYEJRWHAVMIAJKC-AZXPZELESA-N
XLogP0.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (213C)oxolan-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

Frequently Asked Questions

What is the IUPAC name of (213C)oxolan-2-one?
The IUPAC name of (213C)oxolan-2-one (CID 175700736) is (213C)oxolan-2-one.
What is the SMILES notation for (213C)oxolan-2-one?
The canonical SMILES for (213C)oxolan-2-one is O=[13C]1CCCO1.
What is the InChIKey of (213C)oxolan-2-one?
The InChIKey is YEJRWHAVMIAJKC-AZXPZELESA-N. The full InChI is InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2/i4+1.
What are the key properties of (213C)oxolan-2-one?
(213C)oxolan-2-one has a molecular weight of 87.08 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (213C)oxolan-2-one is sourced from PubChem (CID 175700736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).