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1-Undecanol-d4

CAT: 0804-HY-W004292S1-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W004292S1-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1-Undecanol-d4 (Undecyl alcohol-d4) is the deuterium labeled 1-Undecanol. 1-Undecanol (Undecyl alcohol) is the main product generated from the degradation of 2-tridecanone by Pseudomonas bacteria isolated from the soil. 1-Undecanol can enhance the attraction of Grapholita molesta to sex pheromone traps[1][2].
CAS Number
1219803-47-0
Product Name Alternative
Undecyl alcohol-d4
UNSPSC
12352211
Target
Drug Derivative; Insecticide; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Infection
Solubility
10 mM in DMSO
Smiles
OC([2H])([2H])C([2H])([2H])CCCCCCCCC
Molecular Formula
C11H20D4O
Molecular Weight
176.33
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Forney FW, et al. Bacterial oxidation of 2-tridecanone to 1-undecanol. J Bacteriol. 1967 Feb;93 (2) :649-55.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

n-Undecyl-1,1,2,2-d4 alcohol
CAS Number1219803-47-0
PubChem CID131869347
IUPAC Name1,1,2,2-tetradeuterioundecan-1-ol
Molecular FormulaC11H24O
Molecular Weight176.33
XLogP4.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Heavy Atom Count12
Formal Charge0
Complexity71
SMILES
[2H]C([2H])(CCCCCCCCC)C([2H])([2H])O
InChI
InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3/i10D2,11D2
InChIKey
KJIOQYGWTQBHNH-MKQHWYKPSA-N
Chemical Structure
2D Structure
2D structure of n-Undecyl-1,1,2,2-d4 alcohol
CAS: 1219803-47-0
CID: 131869347
Formula: C11H24O
MW: 176.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.33
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
Exact Mass176.207822369
Monoisotopic Mass176.207822369
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity71.4
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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