chempirical

Cyclohexyl formate

C7H12O2CAS 4351-54-6128.17 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C7H12O2
Molar mass
128.17 g/mol
Exact mass
128.0837 Da
Melting point
72.6 °C
Boiling point
163 °C
logP
1.49Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
4351-54-6
SMILES
O=COC1CCCCC1
InChIKey
VUXKVKAHWOVIDN-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O2/c8-6-9-7-4-2-1-3-5-7/h6-7H,1-5H2

Weigh it out

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

Names and synonyms

3 names
  • Formic acid, cyclohexyl ester
  • Cyclohexanol, formate
  • NSC 11766

Work with Cyclohexyl 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

Cyclohexyl vinyl ether2182-55-050 % similar Cyclohexanecarboxaldehyde2043-61-038 % similar Isopropyl formate625-55-838 % similar Cyclooctanecarboxaldehyde6688-11-538 % similar Cyclohexyl acrylate3066-71-535 % similar 1,2:7,8-Diepoxyoctane2426-07-535 % similar Cyclohexyl carbonochloridate13248-54-934 % similar Cyclohexyl acetate622-45-734 % similar

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

Same formula

3,3-Diethoxy-1-propyne10160-87-9 2-Ethoxy-3,4-dihydro-2H-pyran103-75-3 γ-Heptalactone105-21-5 Isobutyl acrylate106-63-8 6-Heptenoic acid1119-60-4 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7

Elsewhere

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