chempirical

3,9-Divinyl-2,4,8,10-tetraoxaspiro[5.5]undecane

C11H16O4CAS 78-19-3212.24 g/mol

Open in Covalent MOL file
OOOO
AcetalAlkeneEther

Properties

Molecular formula
C11H16O4
Molar mass
212.24 g/mol
Exact mass
212.1049 Da
Melting point
4.2 °C
Boiling point
93–94 °C (at 1 Torr)
logP
1.09Crippen estimate
Polar surface area
36.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS by 4 ECHA notifiers. Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
78-19-3
SMILES
C=CC1OCC2(CO1)COC(C=C)OC2
InChIKey
OOXMQACSWCZQLX-UHFFFAOYSA-N
InChI
InChI=1S/C11H16O4/c1-3-9-12-5-11(6-13-9)7-14-10(4-2)15-8-11/h3-4,9-10H,1-2,5-8H2

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Names and synonyms

10 names
  • 3,9-Divinyl-2,4,8,10-tetraoxaspiro(5.5)undecane
  • 2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-diethenyl-
  • 2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-divinyl-
  • 3,9-Diethenyl-2,4,8,10-tetraoxaspiro[5.5]undecane
  • Acrolein, cyclic diacetal with pentaerythritol
  • Acrolein, cyclic neopentanetetrayl acetal
  • Diallylidene pentaerythritol
  • Pentaerythritol diacrolein acetal
  • NSC 7585
  • 3,9-Bis(ethenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane

Work with 3,9-Divinyl-2,4,8,10-tetraoxaspiro[5.5]undecane

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-Ethenyl-1,3-dioxolane3984-22-357 % similar Acrolein acetal3054-95-350 % similar Acrolein dimethyl acetal6044-68-438 % similar Vinyloxirane930-22-338 % similar (3R,4R)-3,4-Di-O-benzyl-1,5-hexadiene-3,4-diol112571-38-731 % similar Pentaerythritol tetraacrylate4986-89-430 % similar Allylidene diacetate869-29-430 % similar

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

Same formula

1-Methyl bicyclo[2.2.2]octane-1,4-dicarboxylate18720-35-9 Neopentyl glycol diacrylate2223-82-7 2,3,4,5-Tetramethoxytoluene35896-58-3

Elsewhere

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