CCCCOC(=O)CC(O)CCC
名称: butyl 3-hydroxyhexanoate
SMILES: CCCCOC(=O)CC(O)CCC

Molecular Processing

Molecular formula
C10H20O3
Molecular weight
188.27
Exact mass
188.1412
XLogP
1.88
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
13
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.9
Molar refractivity
51.4

Supplementary Information

InChIKey: DYMDWLRQYPHHBU-UHFFFAOYSA-N
同義語
SCHEMBL8862337racemic butyl 3-hydroxyhexanoateDYMDWLRQYPHHBU-UHFFFAOYSA-N
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