R16

HEXADECANE

Created:	2005-04-11
Last modified:	2011-06-04

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77 entries where R16 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	0

2D diagram of R16

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Chemical Component Summary
Name	HEXADECANE
Systematic Name (OpenEye OEToolkits)	hexadecane
Formula	C₁₆ H₃₄
Molecular Weight	226.441
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	CCCCCCCCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCC
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCC
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCCCCC
InChI	InChI	1.03	InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKey	InChI	1.03	DCAYPVUWAIABOU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11006
ChEMBL	CHEMBL134994
ChEBI	CHEBI:45296
CCDC/CSD	QQQFBP01

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.