chempirical

(2S)-1,4-Dioxane-2-methanol

C5H10O3CAS 406913-93-7118.13 g/mol

Open in Covalent MOL file
HOOO
AlcoholEther

Properties

Molecular formula
C5H10O3
Molar mass
118.13 g/mol
Exact mass
118.0630 Da
logP
-0.61Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
406913-93-7
SMILES
OC[C@H]1COCCO1
InChIKey
CMEPUAROFJSGJN-YFKPBYRVSA-N
InChI
InChI=1S/C5H10O3/c6-3-5-4-7-1-2-8-5/h5-6H,1-4H2/t5-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • 1,4-Dioxane-2-methanol, (2S)-
  • ((2S)-1,4-Dioxan-2-yl)methanol
  • (S)-(1,4-Dioxan-2-yl)methanol
  • (2S)-1,4-Dioxan-2-yl-methanol
  • (S)-2-(Hydroxymethyl)-1,4-dioxane

Work with (2S)-1,4-Dioxane-2-methanol

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

Hydroxymethyl-18-crown-670069-04-495 % similar 2-Hydroxymethyl-15-crown-575507-25-495 % similar 1,4,7,10-Tetraoxacyclododecane-2-methanol75507-26-595 % similar 1,3-Dioxolane-4-methanol5464-28-861 % similar Glycidol556-52-557 % similar (+)-Glycidol57044-25-457 % similar (-)-Glycidol60456-23-757 % similar Ethoxylated glycerol31694-55-052 % similar

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

Same formula

Diethyl carbonate105-58-8 Ethylene glycol monomethyl ether acetate110-49-6 (S)-2-Hydroxy-3-methylbutanoic acid17407-55-5 Methyl 2-hydroxyisobutyrate2110-78-3 (±)-2-Hydroxy-2-methylbutyric acid3739-30-8 Methyl 3-methoxypropionate3852-09-3 Ethyl 2-methoxyacetate3938-96-3 Methyl (-)-3-hydroxybutyrate3976-69-0

Elsewhere

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