chempirical

Terpin hydrate

C10H22O3CAS 2451-01-6190.28 g/mol

Open in Covalent MOL file
OHOHH2O
Alcohol

Properties

Molecular formula
C10H22O3
Molar mass
190.28 g/mol
Exact mass
190.1569 Da
Melting point
116 °C
logP
0.87Crippen estimate
Polar surface area
72.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
s, sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2451-01-6
SMILES
CC(C)(O)[C@H]1CC[C@@](C)(O)CC1.O
InChIKey
JGKJMBOJWVAMIJ-OFAZAQPONA-N
InChI
InChI=1/C10H20O2.H2O/c1-9(2,11)8-4-6-10(3,12)7-5-8;/h8,11-12H,4-7H2,1-3H3;1H2/t8-,10+;

Weigh it out

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

Names and synonyms

8 names
  • Cyclohexanemethanol, 4-hydroxy-α,α,4-trimethyl-, hydrate (1:1), cis-
  • p-Menthane-1,8-diol, monohydrate
  • Cyclohexanemethanol, 4-hydroxy-α,α,4-trimethyl-, monohydrate, cis-
  • Terpin monohydrate
  • Terpinol hydrate
  • cis-p-Menthane-1,8-diol monohydrate
  • cis-Terpin hydrate
  • Terpinene hydrate

Work with Terpin hydrate

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-(4-Piperidyl)-2-propanol22990-34-747 % similar Dihydro-α-terpineol498-81-747 % similar trans-2-(4-Amino-cyclohexyl)-propan-2-ol899806-45-245 % similar 1-Methylcyclopentanol1462-03-941 % similar 1-Methylcyclohexanol590-67-039 % similar 3,6-Dimethyl-3-heptanol1573-28-038 % similar 4-Methylpiperidin-4-ol3970-68-137 % similar 5-Methyl-5-nonanol33933-78-735 % similar

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

Same formula

Diethylene glycol monohexyl ether112-59-4 Triethyl orthobutyrate24964-76-9 Dipropylene glycol n-butyl ether29911-28-2 Dipropylene glycol monobutyl ether35884-42-5 2,2′,2′′-[Methylidynetris(oxy)]tris[propane]4447-60-3 1,1′,1′′-[Methylidynetris(oxy)]tris[propane]621-76-1

Elsewhere

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