CC(C)(CC1=CC=CC=C1)OC(=O)CC(=O)CC(CCl)O
Name: (2-methyl-1-phenylpropan-2-yl) 6-chloro-5-hydroxy-3-oxohexanoate
SMILES: CC(C)(CC1=CC=CC=C1)OC(=O)CC(=O)CC(CCl)O

Molecular Processing

Molecular formula
C16H21ClO4
Molecular weight
312.79
Exact mass
312.1128
XLogP
2.5
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
81.28

Supplementary Information

InChIKey: YISJBRVRPWSNIT-UHFFFAOYSA-N
Synonyme
SCHEMBL8513665YISJBRVRPWSNIT-UHFFFAOYSA-N2-methyl-1-phenylpropan-2-yl 6-chloro-5-hydroxy-3-oxohexanoate
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