Chemical Components in the PDB

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2F2 : Summary

Code

2F2

One-letter code

X

Molecule name

dimethyl ether

Systematic names

ProgramVersionName
ACDLabs 12.01 dimethyl ether
OpenEye OEToolkits 1.7.6 methoxymethane

Formula

C2 H6 O

Formal charge

0

Molecular weight

46.068 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 methoxymethane
SMILES CACTVS 3.385 COC
SMILES OpenEye OEToolkits 1.7.6 COC
Canonical SMILES CACTVS 3.385 COC
Canonical SMILES OpenEye OEToolkits 1.7.6 COC

IUPAC InChI

InChI=1S/C2H6O/c1-3-2/h1-2H3

IUPAC InChI key

LCGLNKUTAGEVQW-UHFFFAOYSA-N
2F2

wwPDB Information

Atom count

9 (3 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-10-04

Last modified at

2014-07-11

Status

Released

Obsoleted

Not Assigned