chempirical

Cycloheptene

C7H12CAS 628-92-296.17 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C7H12
Molar mass
96.17 g/mol
Exact mass
96.0939 Da
Density
0.8239 g/mL (at 20 °C)
Melting point
−56 °C
Boiling point
115 °C
logP
2.51Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
628-92-2
SMILES
C1=CCCCCC1
InChIKey
ZXIJMRYMVAMXQP-UHFFFAOYSA-N
InChI
InChI=1S/C7H12/c1-2-4-6-7-5-3-1/h1-2H,3-7H2

Weigh it out

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

Names and synonyms

3 names
  • cis-Cycloheptene
  • (1Z)-Cycloheptene
  • NSC 5162

Work with Cycloheptene

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

Cyclododecene1501-82-2100 % similar cis-Cyclooctene931-87-3100 % similar Cyclooctene931-88-4100 % similar Cyclohexene110-83-889 % similar Cyclopentene142-29-070 % similar Chlorobis(cyclooctene)rhodium dimer12279-09-360 % similar (Z)-9-Tricosene27519-02-460 % similar 1,3-Cyclooctadiene1700-10-358 % similar

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

Same formula

2-Heptyne1119-65-9 Methylenecyclohexane1192-37-6 3-Heptyne2586-89-2 1,6-Heptadiene3070-53-9 4-Methylcyclohexene591-47-9 3-Methylcyclohexene591-48-0 Methylcyclohexene591-49-1 1-Heptyne628-71-7

Elsewhere

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