Rel-(1R,2R)-1,2-Cyclohexanedimethanol

C₈H₁₆O₂CAS 65376-05-8144.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆O₂
Molar mass: 144.21 g/mol
Exact mass: 144.1150 Da
logP: 0.78Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: R, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed83.3% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P501

Identifiers

CAS number

65376-05-8

SMILES

C1CC[C@H]([C@@H](C1)CO)CO

InChIKey

XDODWINGEHBYRT-YUMQZZPRSA-N

InChI

InChI=1S/C8H16O2/c9-5-7-3-1-2-4-8(7)6-10/h7-10H,1-6H2/t7-,8-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(1R,2R)-1,2-Cyclohexanedimethanol

Work with Rel-(1R,2R)-1,2-Cyclohexanedimethanol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

cis-1,2-Cyclohexanedimethanol15753-50-1Diastereomer Rel-(1R,2R)-1,2-Cyclohexanedimethanol25712-33-8

Similar compounds

Cyclopentanemethanol3637-61-453 % similar (S)-2-Amino-2-cyclohexyl-ethanol845714-30-952 % similar Cyclohexylmethanol100-49-250 % similar Lupinine486-70-450 % similar cis-Decalin493-01-650 % similar trans-Decalin493-02-750 % similar Decalin91-17-850 % similar Bicyclohexyl92-51-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethylbutyl acetate10031-87-5 Cyclohexanedimethanol105-08-8 Isoamyl propionate105-68-0 1,1-Diethoxy-2-butene10602-34-3 Methyl heptanoate106-73-0 4-Methyl-2-pentyl acetate108-84-9 Butyl butyrate109-21-7 2-Methylheptanoic acid1188-02-9

Elsewhere

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