Citral dimethyl acetal

C₁₂H₂₂O₂CAS 7549-37-3198.31 g/mol

Open in Covalent MOL file

Acetal Alkene Ether

Properties

Molecular formula: C₁₂H₂₂O₂
Molar mass: 198.31 g/mol
Exact mass: 198.1620 Da
Density: 0.8984 g/mL (at 20 °C)
Boiling point: 105–106 °C (at 10 Torr)
logP: 3.30Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Identifiers

CAS number

7549-37-3

SMILES

COC(C=C(C)CCC=C(C)C)OC

InChIKey

ZSKAJFSSXURRGL-UHFFFAOYSA-N

InChI

InChI=1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3

Weigh it out

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

Names and synonyms

4 names

2,6-Octadiene, 1,1-dimethoxy-3,7-dimethyl-
2,6-Octadienal, 3,7-dimethyl-, dimethyl acetal
1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene
3,7-Dimethyl-2,6-octadienal dimethyl acetal

Work with Citral dimethyl acetal

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

Citral diethyl acetal7492-66-265 % similar Squalene111-02-453 % similar Lycopene502-65-849 % similar Geranyl ethyl ether40267-72-947 % similar Geraniol106-24-147 % similar Nerol106-25-247 % similar Thiogeraniol39067-80-647 % similar Geranyl bromide6138-90-547 % similar

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

Same formula

Methyl 10-undecenoate111-81-9 4,7-Dimethyl-5-decyn-4,7-diol126-87-4 Citronellyl acetate150-84-5 Menthyl acetate16409-45-3 ε-Dodecalactone16429-21-3 1-Octen-3-yl butyrate16491-54-6 [1,1′-Bicyclohexyl]-4,4′-diol20601-38-1 γ-Dodecalactone2305-05-7

Elsewhere

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