chempirical

Isobutyl formate

C5H10O2CAS 542-55-2102.13 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C5H10O2
Molar mass
102.13 g/mol
Exact mass
102.0681 Da
Density
0.9066 g/mL (at 0 °C)
Melting point
−95.8 °C
Boiling point
98.2 °C
logP
0.82Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
542-55-2
SMILES
CC(C)COC=O
InChIKey
AVMSWPWPYJVYKY-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Formic acid, 2-methylpropyl ester
  • Formic acid, isobutyl ester
  • Tetryl formate
  • 2-Methylpropyl formate
  • NSC 6968
  • iso-Butyl methanoate

Work with Isobutyl formate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isoamyl formate110-45-258 % similar Isobutyl vinyl ether109-53-550 % similar Isobutyl vinyl ether homopolymer9003-44-550 % similar Propyl formate110-74-746 % similar Ethyl formate109-94-443 % similar Glycol diformate629-15-243 % similar Butyl formate592-84-742 % similar Vinyl chloride-isobutyl vinyl ether copolymer25154-85-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl propionate105-37-3 5-Hydroxy-2-pentanone1071-73-4 Isopropyl acetate108-21-4 Valeric acid109-52-4 Propyl acetate109-60-4 Ethylene glycol monoallyl ether111-45-5 4-Methyl-1,3-dioxane1120-97-4 3-Hydroxy-3-methyl-2-butanone115-22-0

Elsewhere

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