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1-Dodecan-d25-ol

CAT: 0024-sc-224645Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-224645Size:250 mg
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CAS Number
160776-83-0

Chemical Information

Dodecyl-d25 alcohol
CAS Number160776-83-0
PubChem CID12215324
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosadeuteriododecan-1-ol
Molecular FormulaC12H26O
Molecular Weight211.49
XLogP5.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Heavy Atom Count13
Formal Charge0
Complexity81
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O
InChI
InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2
InChIKey
LQZZUXJYWNFBMV-VVZIYBSUSA-N
Chemical Structure
2D Structure
2D structure of Dodecyl-d25 alcohol
CAS: 160776-83-0
CID: 12215324
Formula: C12H26O
MW: 211.49
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.49
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count10
Exact Mass211.355284097
Monoisotopic Mass211.355284097
Topological Polar Surface Area20.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity81.2
Isotope Atom Count25
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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