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Undecanol (YMDB01801)

Identification
YMDB IDYMDB01801
NameUndecanol
SpeciesSaccharomyces cerevisiae
StrainBrewer's yeast
DescriptionUndecanol is a fatty alcohol responsible for mandarin orange-like aromas.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
  • 1-Hendecanol
  • 1-Undecanol
  • 1-Undecyl alcohol
  • 11-Undecanolactone
  • Alcohol c-11
  • Alcohol C11
  • Decyl carbinol
  • Dlcohol c-11 undecylic
  • Fatty alcohol(C11)
  • Hendecanoic alcohol
  • Hendecanol
  • Hendecyl alcohol
  • N-hendecylenic alcohol
  • n-Undecan-1-ol
  • N-undecanol
  • N-undecyl alcohol
  • Neodol 1
  • Neoflex 11
  • Pri-n-undecyl alcohol
  • Tip-nip
  • UMQ
  • UNA
  • Undecan-1-ol
  • Undecanol-(1)
  • undecyl Alcohol
  • C11 Alcohol
CAS number112-42-5
WeightAverage: 172.3077
Monoisotopic: 172.18271539
InChI KeyKJIOQYGWTQBHNH-UHFFFAOYSA-N
InChIInChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
IUPAC Nameundecan-1-ol
Traditional IUPAC Nameundecanol
Chemical FormulaC11H24O
SMILESCCCCCCCCCCCO
Chemical Taxonomy
Description belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty alcohols
Direct ParentFatty alcohols
Alternative Parents
Substituents
  • Fatty alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateLiquid
Charge0
Melting point19 °C
Experimental Properties
PropertyValueReference
Water SolubilityNot AvailablePhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
Water Solubility0.011 g/LALOGPS
logP4.83ALOGPS
logP3.92ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)16.84ChemAxon
pKa (Strongest Basic)-2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity54.34 m³·mol⁻¹ChemAxon
Polarizability23.74 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 ID87499
HMDB IDHMDB13113
Pubchem Compound ID957
Kegg IDC13823
ChemSpider ID7892
FOODB IDFDB002917
Wikipedia IDUndecanol
BioCyc IDNot Available