chempirical

Cycloheptane

C7H14CAS 291-64-598.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C7H14
Molar mass
98.19 g/mol
Exact mass
98.1096 Da
Density
0.8098 g/mL (at 20 °C)
Melting point
−12 °C
Boiling point
118.48 °C
logP
2.73Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
291-64-5
SMILES
C1CCCCCC1
InChIKey
DMEGYFMYUHOHGS-UHFFFAOYSA-N
InChI
InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2

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Names and synonyms

1 names
  • NSC 5164

Work with Cycloheptane

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

Cyclohexane110-82-7100 % similar Cyclopentane287-92-3100 % similar Cyclooctane292-64-8100 % similar Cyclodecane293-96-9100 % similar Cyclododecane294-62-2100 % similar Cyclopentadecane295-48-7100 % similar Piperidine110-89-433 % similar 1,5-Dibromopentane111-24-033 % similar

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

Same formula

Methylcyclohexane-D1410120-28-2 Methylcyclohexane108-87-2 trans-3-Heptene14686-14-7 Ethylcyclopentane1640-89-7 2,4-Dimethyl-1-pentene2213-32-3 1,2-Dimethylcyclopentane2452-99-5 2,3-Dimethyl-1-pentene3404-72-6 5-Methyl-1-hexene3524-73-0

Elsewhere

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