chempirical

Cycloheptanone

C7H12OCAS 502-42-1112.17 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C7H12O
Molar mass
112.17 g/mol
Exact mass
112.0888 Da
Density
0.9508 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
178.5 °C
logP
1.91Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
502-42-1
SMILES
O=C1CCCCCC1
InChIKey
CGZZMOTZOONQIA-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2

Weigh it out

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

Names and synonyms

5 names
  • Ketocycloheptane
  • Ketoheptamethylene
  • Suberone
  • Suberon
  • NSC 9471

Reactions

Work with Cycloheptanone

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

Cyclohexanone108-94-1100 % similar Cyclooctanone502-49-8100 % similar Cyclopentadecanone502-72-7100 % similar Cyclododecanone830-13-7100 % similar Cyclohexanone-formaldehyde copolymer25054-06-271 % similar 11-Heneicosanone19781-72-767 % similar Hexyl ketone462-18-067 % similar Nonyl ketone504-57-467 % 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-Heptyn-1-ol14916-79-1 3-Cyclohexene-1-methanol1679-51-2 trans-2-Heptenal18829-55-5 4-Heptyn-2-ol19781-81-8 Cyclohexanecarboxaldehyde2043-61-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia