Chemical Components in the PDB

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E8N : Summary

Code

E8N

One-letter code

X

Molecule name

1-ethyl-1-methyl-cyclohexane

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1-ethyl-1-methyl-cyclohexane

Formula

C9 H18

Formal charge

0

Molecular weight

126.239 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCC1(C)CCCCC1
SMILES OpenEye OEToolkits 2.0.6 CCC1(CCCCC1)C
Canonical SMILES CACTVS 3.385 CCC1(C)CCCCC1
Canonical SMILES OpenEye OEToolkits 2.0.6 CCC1(CCCCC1)C

IUPAC InChI

InChI=1S/C9H18/c1-3-9(2)7-5-4-6-8-9/h3-8H2,1-2H3

IUPAC InChI key

YPJRYQGOKHKNKZ-UHFFFAOYSA-N
E8N

wwPDB Information

Atom count

27 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-03-04

Last modified at

2019-03-15

Status

Released

Obsoleted

Not Assigned