CC(=O)OCC(C)C
CAS: 110-19-0
Name: 2-methylpropyl acetate
SMILES: CC(=O)OCC(C)C

Molecular Processing

Molecular formula
C6H12O2
Molecular weight
116.16
Exact mass
116.0837
XLogP
1.21
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
8
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
0.833
Molar refractivity
31.47

Supplementary Information

InChIKey: GJRQTCIYDGXPES-UHFFFAOYSA-N
Synonyme
ISOBUTYL ACETATE110-19-02-Methylpropyl acetateIsobutyl ethanoate2-Methylpropyl ethanoateAcetic acid, 2-methylpropyl ester2-Methyl-1-propyl acetateAcetic acid, isobutyl esterAcetate d'isobutylebeta-Methylpropyl ethanoateIsobutylester kyseliny octoveFEMA No. 2175FEMA Number 2175DTXSID50268377CR47FO6LFNSC-8035DTXCID906837CHEBI:50569Isobutyl ester of acetic acid2-Methylpropyl ester of acetic acidRefChem:5912203-745-1IsobutylacetateAcetic Acid Isobutyl Esteriso-butyl acetateIsobutylacetati-butyl acetateIsobutyl acetate (natural)IsobutylazetatNSC 8035
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