1,3,3-Trimethoxy-1-propene

C₆H₁₂O₃CAS 17576-35-1132.16 g/mol

Open in Covalent MOL file

Acetal Alkene Ether

Properties

Molecular formula: C₆H₁₂O₃
Molar mass: 132.16 g/mol
Exact mass: 132.0786 Da
Density: 0.9667 g/mL (at 20 °C)
Boiling point: 30 °C (at 0.5 Torr)
logP: 0.77Crippen estimate
Polar surface area: 27.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

17576-35-1

SMILES

COC=CC(OC)OC

InChIKey

JGVSIZVWGGQMPY-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O3/c1-7-5-4-6(8-2)9-3/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

4 names

1-Propene, 1,3,3-trimethoxy-
Acrolein, 3-methoxy-, dimethyl acetal
Propene, 1,3,3-trimethoxy-
1,3,3-Trimethoxypropene

Work with 1,3,3-Trimethoxy-1-propene

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

2,2-Dimethoxyacetaldehyde51673-84-839 % similar 3,3-Dimethoxy-1-propene6044-68-439 % similar 1-Methoxypropene7319-16-638 % similar (E)-Ethyl 4,4-dimethoxybut-2-enoate114736-25-333 % similar 2-Methoxypropane598-53-833 % similar 1-Methoxy-1,3-butadiene3036-66-632 % similar 3,4-Dihydro-2-methoxy-2H-pyran4454-05-131 % similar 3-Methoxy-2-propenenitrile60838-50-831 % similar

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

Same formula

Solketal100-79-8 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 3-(Allyloxy)-1,2-propanediol123-34-2 Paraldehyde123-63-7 tert-Butoxy acetic acid13211-32-0

Elsewhere

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