chempirical

1-Methylcyclohexanol

C7H14OCAS 590-67-0114.19 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
0.92 g/mL
Melting point
25 °C
Boiling point
155 °C
logP
1.70Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
590-67-0
SMILES
CC1(O)CCCCC1
InChIKey
VTBOTOBFGSVRMA-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O/c1-7(8)5-3-2-4-6-7/h8H,2-6H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Cyclohexanol, 1-methyl-
  • 1-Methyl-1-cyclohexanol
  • 1-Hydroxy-1-methylcyclohexane
  • 1-Methylcyclohexyl alcohol
  • NSC 1247

Work with 1-Methylcyclohexanol

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

1-Methylcyclopentanol1462-03-993 % similar 5-Methyl-5-nonanol33933-78-765 % similar 4-Methyl-4-nonanol23418-38-464 % similar 3-Methyl-3-nonanol21078-72-858 % similar 3-Methyl-3-octanol5340-36-354 % similar 3-Methyl-3-pentanol77-74-745 % similar Tetrahydrolinalool78-69-343 % similar 1,1-Dimethylcyclohexane590-66-942 % 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 2,3-Dimethylpentanal32749-94-3 trans-2-Hepten-1-ol33467-76-4

Elsewhere

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