tert-butyl hypobromite

C4H9BrO — CID 12654691

IUPACtert-butyl hypobromite
SMILESCC(C)(C)OBr
InChIInChI=1S/C4H9BrO/c1-4(2,3)6-5/h1-3H3
InChIKeyIODUDVQDMKBOJC-UHFFFAOYSA-N
MW153.02 g/mol
LogP2.11
Rot. Bonds

About tert-butyl hypobromite

tert-butyl hypobromite (PubChem CID 12654691) has the molecular formula C4H9BrO and a molecular weight of 153.02 g/mol. Its IUPAC name is tert-butyl hypobromite.

Molecular Properties

Compound Nametert-butyl hypobromite
PubChem CID12654691
Molecular FormulaC4H9BrO
Molecular Weight153.02 g/mol
Exact Mass151.98
IUPAC Nametert-butyl hypobromite
SMILESCC(C)(C)OBr
InChIInChI=1S/C4H9BrO/c1-4(2,3)6-5/h1-3H3
InChIKeyIODUDVQDMKBOJC-UHFFFAOYSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.02
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tert-butyl hypobromite?
The IUPAC name of tert-butyl hypobromite (CID 12654691) is tert-butyl hypobromite.
What is the SMILES notation for tert-butyl hypobromite?
The canonical SMILES for tert-butyl hypobromite is CC(C)(C)OBr.
What is the InChIKey of tert-butyl hypobromite?
The InChIKey is IODUDVQDMKBOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BrO/c1-4(2,3)6-5/h1-3H3.
What are the key properties of tert-butyl hypobromite?
tert-butyl hypobromite has a molecular weight of 153.02 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl hypobromite is sourced from PubChem (CID 12654691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).