CC1(CC(=O)CCC1C2=CC=CC=C2)C
CAS: 765940-53-2
名称: 3,3-dimethyl-4-phenylcyclohexan-1-one
SMILES: CC1(CC(=O)CCC1C2=CC=CC=C2)C

Molecular Processing

Molecular formula
C14H18O
Molecular weight
202.3
Exact mass
202.1358
XLogP
3.55
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
61.82

Supplementary Information

InChIKey: CGMLOUSLYNMMCC-UHFFFAOYSA-N
同義語
SCHEMBL3534470CGMLOUSLYNMMCC-UHFFFAOYSA-N3,3-dimethyl-4-phenyl-cyclohexanone765940-53-2DB-286412CYCLOHEXANONE, 3,3-DIMETHYL-4-PHENYL-
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