chempirical

Cycloheptanol

C7H14OCAS 502-41-0114.19 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C7H14O
Molar mass
114.19 g/mol
Exact mass
114.1045 Da
Density
0.95 g/mL
Melting point
2 °C
Boiling point
185 °C
logP
1.70Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
502-41-0
SMILES
OC1CCCCCC1
InChIKey
QCRFMSUKWRQZEM-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2

Weigh it out

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

Names and synonyms

2 names
  • Cycloheptyl alcohol
  • NSC 52221

Work with Cycloheptanol

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

Cyclohexanol108-93-0100 % similar Cyclododecanol1724-39-6100 % similar Cyclooctanol696-71-9100 % similar Cyclobutanol2919-23-577 % similar Cyclopropanol16545-68-962 % similar 1,4-Cyclohexanediol556-48-962 % similar trans-1,4-Cyclohexanediol6995-79-562 % similar 6-Undecanol23708-56-761 % similar

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

Same formula

Cyclohexylmethanol100-49-2 3-Heptanone106-35-4 5-Methyl-2-hexanone110-12-3 2-Heptanone110-43-0 Heptanal111-71-7 4-Heptanone123-19-3 1-Ethylcyclopentanol1462-96-0 2,3-Dimethylpentanal32749-94-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook