chempirical

P-Menthane-3,8-diol

C10H20O2CAS 42822-86-6172.27 g/mol

Open in Covalent MOL file
OHOH
Alcohol

Properties

Molecular formula
C10H20O2
Molar mass
172.27 g/mol
Exact mass
172.1463 Da
Melting point
82–83 °C
logP
1.55Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
42822-86-6
SMILES
CC1CCC(C(C)(C)O)C(O)C1
InChIKey
LMXFTMYMHGYJEI-UHFFFAOYSA-N
InChI
InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Cyclohexanemethanol, 2-hydroxy-α,α,4-trimethyl-
  • 2-Hydroxy-α,α,4-trimethylcyclohexanemethanol
  • 3,8-p-Menthanediol
  • 1-Hydroxy-5-methyl-2-(1-methyl-1-hydroxyethyl)cyclohexane
  • 1-Hydroxy-2-(1-methyl-1-hydroxyethyl)-5-methylcyclohexane
  • Geranium cyclohexane
  • Geranodyle
  • Citriodiol
  • Citrepel
  • Cooling agent 38D
  • p-Menthan-3,8-diol
  • 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexan-1-ol
  • 2-(2-Hydroxypropan-2-yl)-5-methylcyclohexanol

Work with P-Menthane-3,8-diol

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

Dihydro-α-terpineol498-81-748 % similar Menthol1490-04-645 % similar (+)-Menthol15356-60-245 % similar (±)-Menthol15356-70-445 % similar Menthol2216-51-545 % similar (+)-Neomenthol2216-52-645 % similar (+)-Isomenthol23283-97-845 % similar (±)-Menthol89-78-145 % similar

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

Same formula

2-Ethylhexyl acetate103-09-3 Isobutyl hexanoate105-79-3 Ethyl octanoate106-32-1 Hydroxycitronellal107-75-5 Octyl acetate112-14-1 4-Ethyloctanoic acid16493-80-4 1,1-Diethoxycyclohexane1670-47-9 Methyl nonanoate1731-84-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia