chempirical

4-tert-Butylcyclohexyl acetate

C12H22O2CAS 32210-23-4198.31 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C12H22O2
Molar mass
198.31 g/mol
Exact mass
198.1620 Da
Density
0.9429 g/mL (at 15 °C)
Boiling point
100–105 °C (at 8 Torr)
logP
3.15Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
32210-23-4
SMILES
CC(=O)OC1CCC(C(C)(C)C)CC1
InChIKey
MBZRJSQZCBXRGK-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3

Weigh it out

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

Names and synonyms

23 names · show all
  • Para-tert-Butylcyclohexyl acetate
  • Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-acetate
  • Cyclohexanol, 4-tert-butyl-, acetate
  • Cyclohexanol, 4-(1,1-dimethylethyl)-, acetate
  • p-tert-Butylcyclohexyl acetate
  • 4-tert-Butylcyclohexanol acetate
  • Vertenex
  • Oryclone
  • NSC 163103
  • Oryclone special
  • 4-(1,1-Dimethylethyl)cyclohexyl acetate
  • Verbeniax
  • Madeflor
  • PTBCHA
  • Velvetone
  • Oryclon extra
  • Vertopol
  • Vertinate
  • Ylanate
  • p-t-BCHA
  • Boisinol A 464D
  • Dorisyl
  • Lorysia

Work with 4-tert-Butylcyclohexyl acetate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bis(4-tert-butylcyclohexyl) peroxydicarbonate15520-11-365 % similar Cyclohexyl acetate622-45-757 % similar Verdox88-41-550 % similar Triacetin102-76-147 % similar 4-tert-Butylcyclohexanecarboxylic acid5451-55-843 % similar trans-4-tert-Butylcyclohexanecarboxylic acid943-29-343 % similar Isobornyl acetate125-12-241 % similar (+)-Borneol acetate20347-65-341 % similar

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

Same formula

Methyl 10-undecenoate111-81-9 4,7-Dimethyl-5-decyn-4,7-diol126-87-4 Citronellyl acetate150-84-5 Menthyl acetate16409-45-3 ε-Dodecalactone16429-21-3 1-Octen-3-yl butyrate16491-54-6 [1,1′-Bicyclohexyl]-4,4′-diol20601-38-1 γ-Dodecalactone2305-05-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook