chempirical

Cyclohexyl isovalerate

C11H20O2CAS 7774-44-9184.28 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C11H20O2
Molar mass
184.28 g/mol
Exact mass
184.1463 Da
Boiling point
240–241 °C
logP
2.91Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
7774-44-9
SMILES
CC(C)CC(=O)OC1CCCCC1
InChIKey
SQPOKBBCNZIWFI-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Butanoic acid, 3-methyl-, cyclohexyl ester
  • Isovaleric acid, cyclohexyl ester
  • Cyclohexyl 3-methylbutanoate
  • NSC 147480

Work with Cyclohexyl isovalerate

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

Cyclohexyl propionate6222-35-160 % similar Cyclohexyl butyrate1551-44-656 % similar Isovaleric anhydride1468-39-954 % similar ε-Dodecalactone16429-21-353 % similar δ-Tetradecalactone2721-22-453 % similar Gamma-decalactone706-14-953 % similar δ-Undecalactone710-04-353 % similar δ-Dodecalactone713-95-153 % similar

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

Same formula

2-Ethylhexyl acrylate103-11-7 γ-Undecalactone104-67-6 Citronellyl formate105-85-1 2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-4 Undecylenic acid112-38-9 Octyl acrylate2499-59-4 cis-3-Hexenyl isovalerate35154-45-1 cis-3-Hexenyl valerate35852-46-1

Elsewhere

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