chempirical

(2,2-Dimethyl-1,3-dioxan-5-yl)methanol

C7H14O3CAS 4728-12-5146.19 g/mol

Open in Covalent MOL file
OOHO
AcetalAlcoholEther

Properties

Molecular formula
C7H14O3
Molar mass
146.19 g/mol
Exact mass
146.0943 Da
Melting point
197–198 °C
logP
0.38Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

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
4728-12-5
SMILES
CC1(C)OCC(CO)CO1
InChIKey
BTAUZIVCHJIXAX-UHFFFAOYSA-N
InChI
InChI=1S/C7H14O3/c1-7(2)9-4-6(3-8)5-10-7/h6,8H,3-5H2,1-2H3

Weigh it out

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Names and synonyms

6 names
  • [2,2-Dimethyl-1,3-dioxan-5-yl)methanol
  • 1,3-Dioxane-5-methanol, 2,2-dimethyl-
  • m-Dioxane-5-methanol, 2,2-dimethyl-
  • 2,2-Dimethyl-1,3-dioxane-5-methanol
  • 2,2-Dimethyl-5-hydroxymethyl-1,3-dioxane
  • 2,2-Dimethyl-5-(hydroxymethyl)-1,3-dixoane

Work with (2,2-Dimethyl-1,3-dioxan-5-yl)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

Solketal100-79-858 % similar (R)-Solketal14347-78-558 % similar (+)-Solketal22323-82-658 % similar 4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane57280-22-548 % similar Oxetan-3-ylmethanol6246-06-648 % similar (4S,5S)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol50622-09-846 % similar (4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanol73346-74-446 % similar 4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane5754-34-743 % similar

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

Same formula

Glycidaldehyde diethyl acetal13269-77-7 n-Butyl lactate138-22-7 (3,3-Dimethoxycyclobutyl)methanol175021-11-1 3-(tert-Butoxy)propionic acid21150-73-2 Methyl 3-hydroxyhexanoate21188-58-9 2-(Oxan-2-yloxy)ethan-1-ol2162-31-4 Tetrahydrofurfuryl polyethylene glycol31692-85-0 (4S)-(+)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane32233-43-5

Elsewhere

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