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TBF : Summary

Code

TBF

One-letter code

X

Molecule name

TERT-BUTYL FORMATE

Systematic names

ProgramVersionName
ACDLabs 10.04 tert-butyl formate
OpenEye OEToolkits 1.5.0 tert-butyl methanoate

Formula

C5 H10 O2

Formal charge

0

Molecular weight

102.132 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=COC(C)(C)C
SMILES CACTVS 3.341 CC(C)(C)OC=O
SMILES OpenEye OEToolkits 1.5.0 CC(C)(C)OC=O
Canonical SMILES CACTVS 3.341 CC(C)(C)OC=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)(C)OC=O

IUPAC InChI

InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3

IUPAC InChI key

RUPAXCPQAAOIPB-UHFFFAOYSA-N
TBF

wwPDB Information

Atom count

17 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-12-18

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned