α-Propylcyclohexanemethanol

C₁₀H₂₀OCAS 4352-42-5156.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₂₀O
Molar mass: 156.27 g/mol
Exact mass: 156.1514 Da
Density: 0.905 g/mL (at 17 °C)
Boiling point: 112 °C (at 14 Torr)
logP: 2.73Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Identifiers

CAS number

4352-42-5

SMILES

CCCC(O)C1CCCCC1

InChIKey

MTUCYAOJXPTLHZ-UHFFFAOYSA-N

InChI

InChI=1S/C10H20O/c1-2-6-10(11)9-7-4-3-5-8-9/h9-11H,2-8H2,1H3

Weigh it out

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

Names and synonyms

3 names

Cyclohexanemethanol, α-propyl-
1-Butanol, 1-cyclohexyl-
1-Cyclohexyl-1-butanol

Work with α-Propylcyclohexanemethanol

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

2-Methyl-3-hexanol617-29-854 % similar Etohexadiol94-96-254 % similar 4-Decanol2051-31-248 % similar Propylcyclohexane1678-92-846 % similar 4-Methyl-5-nonanol154170-44-245 % similar 4-Nonanol5932-79-644 % similar (±)-2-Dodecanol10203-28-843 % similar (±)-2-Decanol1120-06-543 % similar

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

Same formula

2-Ethylhexyl vinyl ether103-44-6 Citronellol106-22-9 (+)-Citronellol1117-61-9 Decanal112-31-2 9-Decen-1-ol13019-22-2 2-tert-Butylcyclohexanol13491-79-7 Menthol1490-04-6 (+)-Menthol15356-60-2

Elsewhere

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