CC(C)(C)C1CC(CCC1=O)C2=CC=CC=C2
CAS: 1401812-85-8
이름: 2-tert-butyl-4-phenylcyclohexan-1-one
SMILES: CC(C)(C)C1CC(CCC1=O)C2=CC=CC=C2

Molecular Processing

Molecular formula
C16H22O
Molecular weight
230.35
Exact mass
230.1671
XLogP
4.19
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
70.99

Supplementary Information

InChIKey: AGXWLXXFBICEON-UHFFFAOYSA-N
동의어
2-tert-butyl-4-phenyl-cyclohexanone1401812-85-8SCHEMBL3536568AGXWLXXFBICEON-UHFFFAOYSA-NDB-338756
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