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Identification
YMDB IDYMDB01655
Namecis-Hexenal
SpeciesSaccharomyces cerevisiae
StrainBrewer's yeast
Description(Z)-2-Hexenal, also known as cis-2-hexenal or (Z)-hex-2-en-1-al, belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms (Z)-2-Hexenal is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Thumb
Synonyms
  • (2E)-2-Hexenal
  • (E)-n-C3H7CH=CHCHO
  • 2-Hexen-1-al
  • 2-Hexenal, (Z)-
  • 2-hexenaldehyde
  • 3-propyl-acrolein
  • alpha,beta-hexylenaldehyde
  • alpha.beta-Hexylenaldehyd
  • beta-propylacrolein
  • Hex-2-en-1-al
  • Hex-2-enal
  • hexen-2-al
  • hexen-2-en-1-al
  • Hexylenic aldehyde
  • Leaf aldehyde
  • (Z)-Hex-2-en-1-al
  • (Z)-Hex-2-enal
  • cis-2-Hexenal
  • (Z)-2-Hexenal
CAS number505-57-7
WeightAverage: 98.143
Monoisotopic: 98.073164942
InChI KeyMBDOYVRWFFCFHM-PLNGDYQASA-N
InChIInChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4-
IUPAC Name(2Z)-hex-2-enal
Traditional IUPAC Name(2Z)-hex-2-enal
Chemical FormulaC6H10O
SMILESCCC\C=C/C=O
Chemical Taxonomy
Description belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentMedium-chain aldehydes
Alternative Parents
Substituents
  • Medium-chain aldehyde
  • Enal
  • Alpha,beta-unsaturated aldehyde
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Charge0
Melting pointNot Available
Experimental Properties
PropertyValueReference
Water SolubilityNot AvailablePhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
Water Solubility3.2 g/LALOGPS
logP1.8ALOGPS
logP1.65ChemAxon
logS-1.5ALOGPS
pKa (Strongest Basic)-4.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity31.24 m³·mol⁻¹ChemAxon
Polarizability11.37 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular LocationsNot Available
Organoleptic PropertiesNot Available
SMPDB PathwaysNot Available
KEGG PathwaysNot Available
SMPDB ReactionsNot Available
KEGG ReactionsNot Available
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
References
References:Not Available
Synthesis Reference:Not Available
External Links:
ResourceLink
CHEBI ID19591
HMDB IDHMDB0040264
Pubchem Compound ID10460
Kegg IDNot Available
ChemSpider ID4934160
FOODB IDFDB019981
Wikipedia IDNot Available
BioCyc IDNot Available