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Ethylene-b-ionol-d3

CAT: 0804-HY-W778426-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W778426-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ethylene-b-ionol-d3 is the deuterium labeled (1E) -3-Methyl-1- (2,6,6-trimethyl-1-cyclohexen-1-yl) -1,4-pentadien-3-ol.
CAS Number
77265-43-1
UNSPSC
12352211
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
[2H]C([2H])(C(/C=C/C1=C(C)CCCC1(C)C)(O)C=C)[2H]
Molecular Formula
C15H21D3O
Molecular Weight
223.37
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Ethylene-Beta-ionol-d3
CAS Number77265-43-1
PubChem CID71316572
IUPAC Name(1E)-3-(trideuteriomethyl)-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
Molecular FormulaC15H24O
Molecular Weight223.37
XLogP3.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity333
SMILES
[2H]C([2H])([2H])C(C=C)(/C=C/C1=C(CCCC1(C)C)C)O
InChI
InChI=1S/C15H24O/c1-6-15(5,16)11-9-13-12(2)8-7-10-14(13,3)4/h6,9,11,16H,1,7-8,10H2,2-5H3/b11-9+/i5D3
InChIKey
PZGYHDPZANRCSM-KVUBHPTHSA-N
Chemical Structure
2D Structure
2D structure of Ethylene-Beta-ionol-d3
CAS: 77265-43-1
CID: 71316572
Formula: C15H24O
MW: 223.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.37
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass223.201545623
Monoisotopic Mass223.201545623
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity333
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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