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1-Hexadecan-d33-ol

CAT: 0024-sc-287142Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-287142Size:1 g
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CAS Number
284474-73-3

Chemical Information

(~2~H_33_)Hexadecan-1-ol

See also: Alcohols, C14-18 (annotation moved to); Cetyl Alcohol (annotation moved to).

CAS Number284474-73-3
PubChem CID71310294
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tritriacontadeuteriohexadecan-1-ol
Molecular FormulaC16H34O
Molecular Weight275.64
XLogP7.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Heavy Atom Count17
Formal Charge0
Complexity123
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])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O
InChI
InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2
InChIKey
BXWNKGSJHAJOGX-TUWMXWROSA-N
Chemical Structure
2D Structure
2D structure of (~2~H_33_)Hexadecan-1-ol
CAS: 284474-73-3
CID: 71310294
Formula: C16H34O
MW: 275.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.64
XLogP37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Exact Mass275.468098320
Monoisotopic Mass275.468098320
Topological Polar Surface Area20.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity123
Isotope Atom Count33
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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