3-methylbutyl hypobromite

C5H11BrO — CID 141146646

IUPAC3-methylbutyl hypobromite
SMILESCC(C)CCOBr
InChIInChI=1S/C5H11BrO/c1-5(2)3-4-7-6/h5H,3-4H2,1-2H3
InChIKeyKIMHBJKCEVCDBX-UHFFFAOYSA-N
MW167.05 g/mol
LogP2.36
Rot. Bonds3

About 3-methylbutyl hypobromite

3-methylbutyl hypobromite (PubChem CID 141146646) has the molecular formula C5H11BrO and a molecular weight of 167.05 g/mol. Its IUPAC name is 3-methylbutyl hypobromite.

Molecular Properties

Compound Name3-methylbutyl hypobromite
PubChem CID141146646
Molecular FormulaC5H11BrO
Molecular Weight167.05 g/mol
Exact Mass166.00
IUPAC Name3-methylbutyl hypobromite
SMILESCC(C)CCOBr
InChIInChI=1S/C5H11BrO/c1-5(2)3-4-7-6/h5H,3-4H2,1-2H3
InChIKeyKIMHBJKCEVCDBX-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.05
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
CID 148792664
CID 148792664
3-methylbutoxygallane
CID 174485666
ethane;1-methoxy-3-methylbutane
CID 144580604
3-methylbutoxysilane
CID 123427672
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
3-methylbutoxyphosphane;hydrobromide
CID 175546648
O-(3-methylbutyl)hydroxylamine chloride
CID 21205587
dimethoxy-methyl-(3-methylbutoxy)silane
CID 54355038
1-(4-bromobutan-2-yloxy)-3-methylbutane
CID 131855692

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl hypobromite?
The IUPAC name of 3-methylbutyl hypobromite (CID 141146646) is 3-methylbutyl hypobromite.
What is the SMILES notation for 3-methylbutyl hypobromite?
The canonical SMILES for 3-methylbutyl hypobromite is CC(C)CCOBr.
What is the InChIKey of 3-methylbutyl hypobromite?
The InChIKey is KIMHBJKCEVCDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrO/c1-5(2)3-4-7-6/h5H,3-4H2,1-2H3.
What are the key properties of 3-methylbutyl hypobromite?
3-methylbutyl hypobromite has a molecular weight of 167.05 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl hypobromite is sourced from PubChem (CID 141146646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).