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N-Hexa Decane AR 95.0%

CAT: 0459-542295-01Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0459-542295-01Size:100 mL
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CAS Number
544-76-3

Chemical Information

Hexadecane

Hexadecane is a straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper. It has a role as a volatile oil component, a non-polar solvent and a plant metabolite.

CAS Number544-76-3
PubChem CID11006
IUPAC Namehexadecane
Molecular FormulaC16H34
Molecular Weight226.44
XLogP8.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count13
Heavy Atom Count16
Formal Charge0
Complexity92
SMILES
CCCCCCCCCCCCCCCC
InChI
InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey
DCAYPVUWAIABOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexadecane
CAS: 544-76-3
CID: 11006
Formula: C16H34
MW: 226.44
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.44
XLogP38.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count13
Exact Mass226.266051085
Monoisotopic Mass226.266051085
Topological Polar Surface Area0 Ų
Heavy Atom Count16
Formal Charge0
Complexity92.6
Isotope Atom Count0
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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