Isopropyl formate

C₄H₈O₂CAS 625-55-888.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₈O₂
Molar mass: 88.11 g/mol
Exact mass: 88.0524 Da
Density: 0.8728 g/mL (at 20 °C)
Melting point: −80 °C
Boiling point: 68.2 °C
logP: 0.57Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

625-55-8

SMILES

CC(C)OC=O

InChIKey

RMOUBSOVHSONPZ-UHFFFAOYSA-N

InChI

InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

3 names

Formic acid, 1-methylethyl ester
Formic acid, isopropyl ester
iso-Propyl methanoate

Work with Isopropyl 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

Isopropyl vinyl ether926-65-843 % similar Cyclohexyl formate4351-54-638 % similar Isobutyl formate542-55-238 % similar 2-Methoxypropane598-53-837 % similar Methyl formate107-31-335 % similar Tetraisopropoxysilane1992-48-935 % similar Isoamyl formate110-45-235 % similar Diisopropyl ether108-20-333 % similar

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

Same formula

3-Hydroxybutanal107-89-1 Butyric acid107-92-6 2-Butene-1,4-diol110-64-5 Propyl formate110-74-7 1,4-Dioxane123-91-1 Ethyl acetate141-78-6 1,4-Dioxane-D817647-74-4 2-Methylene-1,3-propanediol3513-81-3

Elsewhere

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