COC(=O)C(C)(C)CCCC(C)C
名称: 2,2,6-Trimethyl-heptanoic acid methyl ester
SMILES: COC(=O)C(C)(C)CCCC(C)C

Molecular Processing

Molecular formula
C11H22O2
Molecular weight
186.29
Exact mass
186.162
XLogP
3.01
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
54.49

Supplementary Information

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