chempirical

1-Cyclopentylethanol

C7H14OCAS 52829-98-8114.19 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
0.918 g/mL (at 20 °C)
Boiling point
96.5–97 °C (at 24 Torr)
logP
1.56Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
52829-98-8
SMILES
CC(O)C1CCCC1
InChIKey
WPCMSUSLCWXTKB-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O/c1-6(8)7-4-2-3-5-7/h6-8H,2-5H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Cyclopentanemethanol, α-methyl-
  • α-Methylcyclopentanemethanol
  • NSC 9473
  • 1-Cyclopentylethan-1-ol

Work with 1-Cyclopentylethanol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Cyclohexylethanol1193-81-394 % similar 1-Cyclopropylethanol765-42-476 % similar (+)-2,3-Butanediol19132-06-047 % similar (2R,3R)-Butanediol24347-58-847 % similar 2,3-Butanediol513-85-947 % similar Isopropylcyclohexane696-29-743 % similar cis-Decalin493-01-641 % similar trans-Decalin493-02-741 % 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