CCOC(=O)CC(=O)C(CC(C)C)C(=O)OCC
이름: diethyl 2-(2-methylpropyl)-3-oxopentanedioate
SMILES: CCOC(=O)CC(=O)C(CC(C)C)C(=O)OCC

Molecular Processing

Molecular formula
C13H22O5
Molecular weight
258.31
Exact mass
258.1467
XLogP
1.73
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
18
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
65.84

Supplementary Information

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