chempirical

3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol

C13H26O3CAS 87061-04-9230.35 g/mol

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OOHHO
AlcoholEther

Properties

Molecular formula
C13H26O3
Molar mass
230.35 g/mol
Exact mass
230.1882 Da
logP
1.82Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5

Identifiers

CAS number
87061-04-9
SMILES
CC1CCC(C(C)C)C(OCC(O)CO)C1
InChIKey
MDVYIGJINBYKOM-UHFFFAOYSA-N
InChI
InChI=1S/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3

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Names and synonyms

4 names
  • 1,2-Propanediol, 3-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-
  • TK 10
  • 3-((2-Isopropyl-5-methylcyclohexyl)oxy)propane-1,2-diol
  • 3-[[5-Methyl-2-(propan-2-yl)cyclohexyl]oxy]propane-1,2-diol

Work with 3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol

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-[[(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]acetic acid40248-63-351 % similar (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 2,2-dihydroxyacetate111969-64-348 % similar Menthyl lactate17162-29-747 % similar L-Menthyl D-lactate59259-38-047 % similar L-Menthyl L-lactate61597-98-647 % similar (+)-Menthyl chloroformate7635-54-347 % similar Menthol1490-04-646 % similar (+)-Menthol15356-60-246 % similar

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

Same formula

tert-Butyl peroxy-3,5,5-trimethylhexanoate13122-18-4

Elsewhere

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