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Verdox

C12H22O2CAS 88-41-5198.31 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C12H22O2
Molar mass
198.31 g/mol
Exact mass
198.1620 Da
Boiling point
227 °C
logP
3.15Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
88-41-5
SMILES
CC(=O)OC1CCCCC1C(C)(C)C
InChIKey
FINOAUDUYKVGDS-UHFFFAOYSA-N
InChI
InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(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.

Names and synonyms

9 names
  • Cyclohexanol, 2-(1,1-dimethylethyl)-, 1-acetate
  • Cyclohexanol, 2-(1,1-dimethylethyl)-, acetate
  • Cyclohexanol, 2-tert-butyl-, acetate
  • 2-tert-Butylcyclohexanol acetate
  • 2-tert-Butylcyclohexyl acetate
  • o-tert-Butylcyclohexyl acetate
  • 2-(1,1-Dimethylethyl)cyclohexyl acetate
  • Agrumex HC
  • 2-(1,1-Dimethylethyl)cyclohexyl ethanoate

Work with Verdox

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

2-Methylcyclohexyl acetate5726-19-256 % similar 4-tert-Butylcyclohexyl acetate32210-23-450 % similar Cyclohexyl acetate622-45-748 % similar Aceclidine827-61-241 % similar 1-Octen-3-yl acetate2442-10-640 % similar Menthyl acetate2623-23-638 % similar (±)-Menthyl acetate89-48-538 % similar 5-Norbornen-2-yl acetate6143-29-938 % 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

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