C1CCOC(=O)C1
CAS: 542-28-9
Name: oxan-2-one
SMILES: C1CCOC(=O)C1

Molecular Processing

Molecular formula
C5H8O2
Molecular weight
100.12
Exact mass
100.0524
XLogP
0.71
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
7
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
24.81

Supplementary Information

InChIKey: OZJPLYNZGCXSJM-UHFFFAOYSA-N
Synonyme
delta-Valerolactone542-28-9TETRAHYDRO-2H-PYRAN-2-ONE5-Valerolactone2H-Pyran-2-one, tetrahydro-DTXSID6044438NSC-624714V1X9149LDTXCID4024438CHEBI:16545RefChem:585696208-807-1oxan-2-onetetrahydropyran-2-oneTetrahydro-2-pyranonedelta-Valeryllactone26354-94-9.delta.-ValerolactoneValerolactone1-Oxacyclohexan-2-one.delta.-Valeryllactonetetrahydro-pyran-2-oneNSC 6247MFCD00006645CHEMBL452383Penta-1,5-lactone3H-4,5,6-trihydropyran-2-one5-pentanolided-valerolactoneCyclopentanolide
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