chempirical

(+)-Neomenthol

C10H20OCAS 2216-52-6156.27 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C10H20O
Molar mass
156.27 g/mol
Exact mass
156.1514 Da
Density
0.9042 g/mL (at 20 °C)
Boiling point
83–84 °C (at 7 Torr)
logP
2.44Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
S, R, Sin SMILES atom order

Identifiers

CAS number
2216-52-6
SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O
InChIKey
NOOLISFMXDJSKH-UTLUCORTSA-N
InChI
InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S,2S,5R)-
  • Menthol, (1R,3S,4S)-(+)-
  • Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1S-(1α,2α,5β)]-
  • (1S,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexanol
  • (+)-neo-Menthol
  • (1S,2S,5R)-Neomenthol
  • d-Neomenthol
  • (+)-trans-p-Menthan-trans-3-ol

Work with (+)-Neomenthol

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

(±)-Menthol15356-70-4100 % similar Menthol2216-51-5100 % similar (+)-Isomenthol23283-97-8100 % similar (±)-Menthol89-78-1100 % similar 3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol87061-04-946 % similar P-Menthane-3,8-diol42822-86-645 % similar (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate111969-64-345 % similar (-)-Isopulegol89-79-244 % 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

PubChem CAS Common Chemistry NIST WebBook