chempirical

Cyclooctanecarboxaldehyde

C9H16OCAS 6688-11-5140.23 g/mol

Open in Covalent MOL file
O
Aldehyde

Properties

Molecular formula
C9H16O
Molar mass
140.23 g/mol
Exact mass
140.1201 Da
Boiling point
76–78 °C (at 16 Torr)
logP
2.55Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
6688-11-5
SMILES
O=CC1CCCCCCC1
InChIKey
IGGUWVNICWZJQU-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O/c10-8-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2

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

Names and synonyms

2 names
  • Formylcyclooctane
  • Cyclooctanealdehyde

Work with Cyclooctanecarboxaldehyde

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

Cyclohexanecarboxaldehyde2043-61-0100 % similar Cyclobutanecarboxaldehyde2987-17-981 % similar Tetrahydro-2H-pyran-4-carboxaldehyde50675-18-852 % similar 2-Ethylhexanal123-05-748 % similar Vinylcyclohexane695-12-543 % similar 2-Ethylbutanal97-96-143 % similar Tetrahydrobenzaldehyde100-50-542 % similar Tetrahydro-3-furancarboxaldehyde79710-86-442 % similar

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

Same formula

Cyclohexylacetone103-78-6 (±)-2,6-Dimethyl-5-heptenal106-72-9 1-(2-Propen-1-yl)cyclohexanol1123-34-8 3-Nonen-2-one14309-57-0 2-Nonenal18829-56-6 3,6-Dimethyl-1-heptyn-3-ol19549-98-5 4-Methyl-1-octyn-4-ol22128-43-4 cis-6-Nonenal2277-19-2

Elsewhere

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