CC(C)C(=O)OC
CAS: 547-63-7
Name: methyl 2-methylpropanoate
SMILES: CC(C)C(=O)OC

Molecular Processing

Molecular formula
C5H10O2
Molecular weight
102.13
Exact mass
102.0681
XLogP
0.82
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
7
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
0.8
Molar refractivity
26.85

Supplementary Information

InChIKey: BHIWKHZACMWKOJ-UHFFFAOYSA-N
Synonyms
METHYL ISOBUTYRATE547-63-7Methyl 2-methylpropanoateMethyl 2-methylpropionatePropanoic acid, 2-methyl-, methyl esterIsobutyric acid, methyl esterFEMA No. 2694EM286QL922NSC-126780DTXSID5060275CHEBI:73689RefChem:157905DTXCID9041782208-929-5Methyl isobutanoate106989-11-1ISOBUTYRIC ACID METHYL ESTER26161-42-2Methylester kyseliny isomaselneNSC 126780methylisobutyrateMethyl isobutyrate (natural)MFCD00166383Poly(L-lactide) SRU2-methylpropanoic acid methyl esterEINECS 208-929-5MFCD00008914Methylester kyseliny isomaselne [Czech]BRN 1740720UNII-EM286QL922
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