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- ChemComp-R16: HEXADECANE -

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Basic information

EntryDatabase: PDB chemical components / ID: R16

Yorodumi
NameName: hexadecane / Type: NON-POLYMER (HETAIN)
Composition
Formula: C16H34 / Number of atoms: 50 / Formula weight: 226.441 / Formal charge: 0
WikipediaWikipedia - Hexadecane: Hexadecane (also called cetane) is an alkane hydrocarbon with the chemical formula C16H34. Hexadecane consists of a chain of 16 carbon atoms, with three hydrogen atoms bonded to the two end carbon atoms, and two hydrogens bonded to each of the 14 other carbon atoms.

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DateCreate component: Apr 11, 2005 / Modify descriptor: Jun 4, 2011
External linksTOXNET,NIH / PubChem

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04CCCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC

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InChI

InChI 1.03InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

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InChIKey

InChI 1.03DCAYPVUWAIABOU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04hexadecane
OpenEye OEToolkits 1.5.0hexadecane

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