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

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P354+P338, P317, P330, P370+P378, P403+P235, P501

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 Cyclodecanone1502-06-3100 % similar Cyclooctanone502-49-8100 % similar Cyclopentadecanone502-72-7100 % similar Cyclododecanone830-13-7100 % similar Cyclopentanone120-92-392 % similar Cycloheptane-1,3-dione1194-18-979 % similar Cyclobutanone1191-95-377 % 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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