Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

R16 : Summary

Code

R16

One-letter code

X

Molecule name

HEXADECANE

Systematic names

ProgramVersionName
ACDLabs 10.04 hexadecane
OpenEye OEToolkits 1.5.0 hexadecane

Formula

C16 H34

Formal charge

0

Molecular weight

226.441 Da

SMILES

TypeProgramVersionDescriptor
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

IUPAC InChI

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

IUPAC InChI key

DCAYPVUWAIABOU-UHFFFAOYSA-N
R16

wwPDB Information

Atom count

50 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-04-11

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned