chempirical

Cyclohexanecarboxaldehyde

C7H12OCAS 2043-61-0112.17 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C7H12O
Molar mass
112.17 g/mol
Exact mass
112.0888 Da
Density
0.9235 g/mL (at 25 °C)
Melting point
104–107 °C
Boiling point
159.3 °C
logP
1.77Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 72 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
2043-61-0
SMILES
O=CC1CCCCC1
InChIKey
KVFDZFBHBWTVID-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h6-7H,1-5H2

Weigh it out

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

Names and synonyms

14 names · show all
  • Cyclohexanealdehyde
  • Cyclohexylformaldehyde
  • Cyclohexanal
  • Formylcyclohexane
  • Cyclohexanaldehyde
  • Cyclohexylcarboxaldehyde
  • 1-Formylcyclohexane
  • Cyclohexanecarbaldehyde
  • 1-Cyclohexanecarboxaldehyde
  • Hexahydrobenzaldehyde
  • Cyclohexylcarbaldehyde
  • Cyclohexane-1-aldehyde
  • NSC 68509
  • Cyclohexancarboxaldehyde

Reactions

Work with Cyclohexanecarboxaldehyde

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

Cyclooctanecarbaldehyde6688-11-5100 % similar Cyclopentanecarboxaldehyde872-53-793 % similar Cyclobutanecarboxaldehyde2987-17-981 % similar Cyclopropanecarboxaldehyde1489-69-669 % similar Tetrahydro-2H-pyran-4-carboxaldehyde50675-18-852 % similar 2-Ethylhexanal123-05-748 % similar 4-Oxo-cyclohexanecarboxaldehyde96184-81-548 % similar Vinylcyclohexane695-12-543 % similar

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

Same formula

2-Heptyn-1-ol1002-36-4 3-Hepten-2-one1119-44-4 Dicyclopropylmethanol14300-33-5 3,4-Dimethyl-1-pentyn-3-ol1482-15-1 3-Heptyn-1-ol14916-79-1 3-Cyclohexene-1-methanol1679-51-2 Methylenecyclohexane oxide185-70-6 trans-2-Heptenal18829-55-5

Elsewhere

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