chempirical

Isoamyl propionate

C8H16O2CAS 105-68-0144.21 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C8H16O2
Molar mass
144.21 g/mol
Exact mass
144.1150 Da
Boiling point
160.2 °C
logP
1.99Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
105-68-0
SMILES
CCC(=O)OCCC(C)C
InChIKey
XAOGXQMKWQFZEM-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 1-Butanol, 3-methyl-, 1-propanoate
  • Isopentyl alcohol, propionate
  • 1-Butanol, 3-methyl-, propanoate
  • Propionic acid, isopentyl ester
  • 3-Methylbutyl propionate
  • iso-Pentyl propionate
  • Isopentyl propionate
  • Isoamyl propanoate
  • Isopentyl propanoate
  • 3-Methylbutyl propanoate
  • NSC 7932
  • 3-Methyl-1-butanol propanoate
  • 3-Methyl-1-butyl propanoate

Work with Isoamyl propionate

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 isovalerate659-70-168 % similar Isoamyl butyrate106-27-467 % similar Isobutyl propionate540-42-164 % similar Isoamyl hexanoate2198-61-061 % similar Isoamyl octanoate2035-99-659 % similar Isoamyl laurate6309-51-959 % similar Propyl propanoate106-36-557 % similar Isoamyl acetate123-92-253 % similar

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

Same formula

2-Ethylbutyl acetate10031-87-5 Cyclohexanedimethanol105-08-8 1,1-Diethoxy-2-butene10602-34-3 Methyl heptanoate106-73-0 4-Methyl-2-pentyl acetate108-84-9 Butyl butyrate109-21-7 2-Methylheptanoic acid1188-02-9 Ethyl hexanoate123-66-0

Elsewhere

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