1,1-Diethoxy-2-hexene

C₁₀H₂₀O₂CAS 54306-00-2172.27 g/mol

Open in Covalent MOL file

Acetal Alkene Ether

Properties

Molecular formula: C₁₀H₂₀O₂
Molar mass: 172.27 g/mol
Exact mass: 172.1463 Da
logP: 2.74Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 7

Identifiers

CAS number

54306-00-2

SMILES

CCCC=CC(OCC)OCC

InChIKey

WMQKYHTZGYIHHD-UHFFFAOYSA-N

InChI

InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h8-10H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

2 names

2-Hexene, 1,1-diethoxy-
2-Hexenal diethylacetal

Work with 1,1-Diethoxy-2-hexene

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

1,1-Diethoxy-2-butene10602-34-354 % similar trans-4-Octene14850-23-843 % similar cis-4-Octene7642-15-143 % similar (3,3-Diethoxy-1-propen-1-yl)benzene7148-78-942 % similar 2-Ethoxy-3,4-dihydro-2H-pyran103-75-341 % similar 1,1-Diethoxyhexane3658-93-340 % similar trans-2-Hexene4050-45-738 % similar 2-Hexene592-43-838 % similar

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

Same formula

2-Ethylhexyl acetate103-09-3 Isobutyl hexanoate105-79-3 Ethyl octanoate106-32-1 Hydroxycitronellal107-75-5 Octyl acetate112-14-1 4-Ethyloctanoic acid16493-80-4 1,1-Diethoxycyclohexane1670-47-9 Methyl nonanoate1731-84-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook