4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane

C₇H₁₂O₃CAS 57280-22-5144.17 g/mol

Open in Covalent MOL file

Acetal Epoxide Ether

Properties

Molecular formula: C₇H₁₂O₃
Molar mass: 144.17 g/mol
Exact mass: 144.0786 Da
Boiling point: 86 °C (at 15 Torr)
logP: 0.54Crippen estimate
Polar surface area: 31.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H317 May cause an allergic skin reactionSensitization, Skin
H319 Causes serious eye irritationSerious eye damage/eye irritation

Harmonised EU classification (CLP Annex VI, index 603-173-00-6), via PubChem.

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

57280-22-5

SMILES

CC1(C)OCC2OC2CO1

InChIKey

GEKNCWQQNMEIMS-UHFFFAOYSA-N

InChI

InChI=1S/C7H12O3/c1-7(2)8-3-5-6(10-5)4-9-7/h5-6H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

3,5,8-Trioxabicyclo[5.1.0]octane, 4,4-dimethyl-

Work with 4,4-Dimethyl-3,5,8-trioxabicyclo[5.1.0]octane

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

1,2:5,6-Di-O-isopropylidene-D-mannitol1707-77-350 % similar 1,2:3,5-Di-O-isopropylidene-alpha-D-xylofuranose20881-04-348 % similar (2,2-Dimethyl-1,3-dioxan-5-yl)methanol4728-12-548 % similar 2,2-Dimethyl-1,3-dioxolane2916-31-645 % similar Diaceton-alpha-D-mannofuranose14131-84-142 % similar Rel-(5R,6S)-6-Amino-2,2-dimethyl-1,3-dioxepan-5-ol79944-37-941 % similar 2,2-Diethoxypropane126-84-141 % similar Solketal100-79-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 3-ethoxy-2-propenoate1001-26-9 Methyl tetrahydropyran-4-carboxylate110238-91-0 4-(2-Hydroxypropoxy)-2-butyn-1-ol1606-79-7 Ethyl tetrahydrofuroate16874-34-3 4-Hydroxycyclohexanecarboxylic acid17419-81-7 Methyl tetrahydropyran-3-carboxylate18729-20-9 Ethyl 3-methyl-2-oxobutanoate20201-24-5 Butyl pyruvate20279-44-1

Elsewhere

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