1,1-Diethoxy-2-hexene

C10H20O2CAS 54306-00-2172.27 g/mol

Open in Covalent MOL file
OO
AcetalAlkeneEther

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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 Acrolein acetal3054-95-343 % 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

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

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