CAS: 1194-16-7
名称: 2,2-dimethyloxan-4-one
SMILES:
CC1(CC(=O)CCO1)CMolecular Processing
Molecular formula
C7H12O2
Molecular weight
128.17
Exact mass
128.0837
XLogP
1.14
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
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
0.857
Molar refractivity
34.27
Supplementary Information
InChIKey: BWMNOXJVRHGUQM-UHFFFAOYSA-N
同義語
1194-16-72,2-Dimethyltetrahydropyran-4-oneDTXSID10365056RefChem:243625DTXCID60316098802-307-22,2-Dimethyldihydro-2H-pyran-4(3H)-one2,2-dimethyloxan-4-one2,2-Dimethyl-tetrahydro-pyran-4-one4H-Pyran-4-one, tetrahydro-2,2-dimethyl-Tetrahydro-2,2-dimethyl-4H-pyran-4-oneMFCD015493372,2-dimethyltetrahydro-4H-pyran-4-one2,2-dimethyl-2H-3,5,6-trihydropyran-4-one2,2-dimethyl-tetrahydropyran-4-oneSCHEMBL622572BWMNOXJVRHGUQM-UHFFFAOYSA-NALBB-007457CS-D0378SBB048828STK500485AKOS004119828SB18549DS-10721SY006372DB-008114ST45021418EN300-77049F043695
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