oxolan-2-one

C4H6O2 — CID 7302

IUPACoxolan-2-one
SMILESO=C1CCCO1
InChIInChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
InChIKeyYEJRWHAVMIAJKC-UHFFFAOYSA-N
MW86.09 g/mol
LogP0.32
Rot. Bonds

About oxolan-2-one

oxolan-2-one (PubChem CID 7302) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol. Its IUPAC name is oxolan-2-one.

Molecular Properties

Compound Nameoxolan-2-one
PubChem CID7302
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Nameoxolan-2-one
SMILESO=C1CCCO1
InChIInChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
InChIKeyYEJRWHAVMIAJKC-UHFFFAOYSA-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 ≤ 50086.09
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-one?
The IUPAC name of oxolan-2-one (CID 7302) is oxolan-2-one.
What is the SMILES notation for oxolan-2-one?
The canonical SMILES for oxolan-2-one is O=C1CCCO1.
What is the InChIKey of oxolan-2-one?
The InChIKey is YEJRWHAVMIAJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2.
What are the key properties of oxolan-2-one?
oxolan-2-one has a molecular weight of 86.09 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 oxolan-2-one is sourced from PubChem (CID 7302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).