1,3-Diacetoxy-2-(acetoxymethoxy)propane

C₁₀H₁₆O₇CAS 86357-13-3248.23 g/mol

Open in Covalent MOL file

Acetal Ester Ether

Properties

Molecular formula: C₁₀H₁₆O₇
Molar mass: 248.23 g/mol
Exact mass: 248.0896 Da
logP: 0.02Crippen estimate
Polar surface area: 88.1 Å²
H-bond donors / acceptors: 0 / 7
Rotatable bonds: 7

Identifiers

CAS number

86357-13-3

SMILES

CC(=O)OCOC(COC(C)=O)COC(C)=O

InChIKey

DUOPMEBLLUYTNT-UHFFFAOYSA-N

InChI

InChI=1S/C10H16O7/c1-7(11)14-4-10(5-15-8(2)12)17-6-16-9(3)13/h10H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

3 names

1,3-Propanediol, 2-[(acetyloxy)methoxy]-, 1,3-diacetate
1,3-Propanediol, 2-[(acetyloxy)methoxy]-, diacetate
2-(Acetoxymethoxy)propane-1,3-diyl diacetate

Work with 1,3-Diacetoxy-2-(acetoxymethoxy)propane

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

((1,3-Dichloropropan-2-yl)oxy)methyl acetate89281-73-266 % similar Triacetin102-76-163 % similar Tetrahydrofurfuryl acetate637-64-958 % similar Isobutyl acetate110-19-054 % similar 2-Ethylbutyl acetate10031-87-550 % similar Propylene glycol diacetate623-84-748 % similar 2-Methylbutyl acetate624-41-947 % similar (2-Acetoxyethoxy)methyl acetate59278-00-147 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook