C1COCCC1=O
CAS: 29943-42-8
Name: oxan-4-one
SMILES: C1COCCC1=O

Molecular Processing

Molecular formula
C5H8O2
Molecular weight
100.12
Exact mass
100.0524
XLogP
0.37
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
25.06

Supplementary Information

InChIKey: JMJRYTGVHCAYCT-UHFFFAOYSA-N
Synonyme
Tetrahydro-4H-pyran-4-one29943-42-84-Oxotetrahydropyran4H-Pyran-4-one, tetrahydro-Tetrahydro-4-pyroneTetrahydro-.gamma.-pyrone4-OxacyclohexanoneEINECS 249-967-2DTXSID701840482,3,5,6-Tetrahydro-4-pyranoneTetrahydro-gamma-pyroneRefChem:188630DTXCID80106539249-967-2InChI=1/C5H8O2/c6-5-1-3-7-4-2-5/h1-4HJMJRYTGVHCAYCT-UHFFFAOYSA-Noxan-4-oneDIHYDRO-2H-PYRAN-4(3H)-ONEtetrahydropyran-4-one143562-54-3MFCD000065814-thptetrahydro-2h-pyran-4-onetetrahydro-pyran-4-one2H-3,5,6-trihydropyran-4-onetetrahydro-4-pyranoneTetrahydropyran-4-on4-oxo-tetrahydropyrantetrahydro-pyran4-onetetrahydropyran-4 one
Quelle anzeigen →
An 815 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→