(E)-2-Octenal

C8H14OCAS 2548-87-0126.20 g/mol

Open in Covalent MOL file
O
AldehydeAlkene

Properties

Molecular formula
C8H14O
Molar mass
126.20 g/mol
Exact mass
126.1045 Da
Boiling point
75–78 °C (at 13 Torr)
logP
2.32Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5
Double bonds
EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 164 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
2548-87-0
SMILES
CCCCC/C=C/C=O
InChIKey
LVBXEMGDVWVTGY-VOTSOKGWSA-N
InChI
InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+

Weigh it out

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

Names and synonyms

9 names
  • 2-Octenal, (2E)-
  • 2-Octenal, (E)-
  • (2E)-2-Octenal
  • trans-2-Octenal
  • trans-Oct-2-en-1-al
  • (E)-2-Octen-1-al
  • (2E)-Octenal
  • (E)-Octen-2-enal
  • 2-(E)-Octenal

Work with (E)-2-Octenal

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-Nonenal18829-56-695 % similar 2-Dodecenal20407-84-595 % similar 2-Nonenal2463-53-895 % similar 2-Undecenal2463-77-695 % similar (2E)-Decenal3913-81-395 % similar (E)-2-Undecenal53448-07-095 % similar trans-2-Heptenal18829-55-586 % similar 2,4-Decadienal2363-88-483 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dimethyl-1-hexyn-3-ol107-54-0 Sulcatone110-93-0 3-Octyn-1-ol14916-80-4 3-Octen-2-one1669-44-9 2-(5-Hexen-1-yl)oxirane19600-63-6 2-Octyn-1-ol20739-58-6 Cyclohexyl vinyl ether2182-55-0 2,6-Dimethylcyclohexanone2816-57-1

Elsewhere

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