2-methoxyethyl hypobromite;propanoic acid

C6H13BrO4 — CID 175073331

IUPAC2-methoxyethyl hypobromite;propanoic acid
SMILESCCC(=O)O.COCCOBr
InChIInChI=1S/C3H7BrO2.C3H6O2/c1-5-2-3-6-4;1-2-3(4)5/h2-3H2,1H3;2H2,1H3,(H,4,5)
InChIKeyCSOUUIJIIICKGJ-UHFFFAOYSA-N
MW229.07 g/mol
LogP1.44
Rot. Bonds4

About 2-methoxyethyl hypobromite;propanoic acid

2-methoxyethyl hypobromite;propanoic acid (PubChem CID 175073331) has the molecular formula C6H13BrO4 and a molecular weight of 229.07 g/mol. Its IUPAC name is 2-methoxyethyl hypobromite;propanoic acid.

Molecular Properties

Compound Name2-methoxyethyl hypobromite;propanoic acid
PubChem CID175073331
Molecular FormulaC6H13BrO4
Molecular Weight229.07 g/mol
Exact Mass228.00
IUPAC Name2-methoxyethyl hypobromite;propanoic acid
SMILESCCC(=O)O.COCCOBr
InChIInChI=1S/C3H7BrO2.C3H6O2/c1-5-2-3-6-4;1-2-3(4)5/h2-3H2,1H3;2H2,1H3,(H,4,5)
InChIKeyCSOUUIJIIICKGJ-UHFFFAOYSA-N
XLogP1.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 159987396
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CID 87877054
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nickel;propanoic acid
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propanoic acid;hydrate
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propanoic acid;yttrium
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CID 87066971
CID 87066971
mercury(2+);propanoic acid
CID 23623813
propanoic acid;dihydrochloride
CID 87391840
propanoic acid;dihydrofluoride
CID 173419874
propanoic acid;zirconium
CID 88666887
copper;propanoic acid
CID 5150615

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl hypobromite;propanoic acid?
The IUPAC name of 2-methoxyethyl hypobromite;propanoic acid (CID 175073331) is 2-methoxyethyl hypobromite;propanoic acid.
What is the SMILES notation for 2-methoxyethyl hypobromite;propanoic acid?
The canonical SMILES for 2-methoxyethyl hypobromite;propanoic acid is CCC(=O)O.COCCOBr.
What is the InChIKey of 2-methoxyethyl hypobromite;propanoic acid?
The InChIKey is CSOUUIJIIICKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7BrO2.C3H6O2/c1-5-2-3-6-4;1-2-3(4)5/h2-3H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of 2-methoxyethyl hypobromite;propanoic acid?
2-methoxyethyl hypobromite;propanoic acid has a molecular weight of 229.07 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl hypobromite;propanoic acid is sourced from PubChem (CID 175073331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).