(-)-Isopulegol

C10H18OCAS 89-79-2154.25 g/mol

Open in Covalent MOL file
HO
AlcoholAlkene

Properties

Molecular formula
C10H18O
Molar mass
154.25 g/mol
Exact mass
154.1358 Da
Density
0.911 g/mL (at 20 °C)
Melting point
78 °C
Boiling point
93–94 °C
logP
2.36Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
S, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,823 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
89-79-2
SMILES
C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1O
InChIKey
ZYTMANIQRDEHIO-KXUCPTDWSA-N
InChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3/t8-,9+,10-/m1/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, (1R,2S,5R)-
  • p-Menth-8-en-3-ol, (1R,3R,4S)-(-)-
  • Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, [1R-(1α,2β,5α)]-
  • (1R,2S,5R)-5-Methyl-2-(1-methylethenyl)cyclohexanol
  • Isopulegol
  • l-Isopulegol
  • iso-Pulegol
  • (-)-L-Isopulegol
  • Isopugenol I
  • (1R,2S,5R)-(-)-Isopulegol
  • (1R,2S,5R)-2-Isopropenyl-5-methylcyclohexanol
  • trans-Isoperitenol
  • Isopulegol I
  • Coolact

Work with (-)-Isopulegol

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

Menthol1490-04-644 % similar (+)-Menthol15356-60-244 % similar (±)-Menthol15356-70-444 % similar Menthol2216-51-544 % similar (+)-Neomenthol2216-52-644 % similar (+)-Isomenthol23283-97-844 % similar (±)-Menthol89-78-144 % similar p-Menthane-3,8-diol42822-86-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Menthan-3-one10458-14-7 (-)-α-Terpineol10482-56-1 3-Decen-2-one10519-33-2 Citric106-23-0 Geraniol106-24-1 Nerol106-25-2 Isoborneol124-76-5 (-)-Linalool126-91-0

Elsewhere

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