carbonochloridoyl butaneperoxoate

C5H7ClO4 — CID 126720955

IUPACcarbonochloridoyl butaneperoxoate
SMILESCCCC(=O)OOC(=O)Cl
InChIInChI=1S/C5H7ClO4/c1-2-3-4(7)9-10-5(6)8/h2-3H2,1H3
InChIKeyNOKMZLASTHXTLE-UHFFFAOYSA-N
MW166.56 g/mol
LogP1.62
Rot. Bonds2

About carbonochloridoyl butaneperoxoate

carbonochloridoyl butaneperoxoate (PubChem CID 126720955) has the molecular formula C5H7ClO4 and a molecular weight of 166.56 g/mol. Its IUPAC name is carbonochloridoyl butaneperoxoate.

Molecular Properties

Compound Namecarbonochloridoyl butaneperoxoate
PubChem CID126720955
Molecular FormulaC5H7ClO4
Molecular Weight166.56 g/mol
Exact Mass166.00
IUPAC Namecarbonochloridoyl butaneperoxoate
SMILESCCCC(=O)OOC(=O)Cl
InChIInChI=1S/C5H7ClO4/c1-2-3-4(7)9-10-5(6)8/h2-3H2,1H3
InChIKeyNOKMZLASTHXTLE-UHFFFAOYSA-N
XLogP1.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.56
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

butanoyl octaneperoxoate
CID 155389347
ethyl butaneperoxoate;zirconium
CID 159069953
2-aminopropanoyl butaneperoxoate
CID 139674413
chloro butanoate;silver
CID 175006777
CID 157105034
CID 157105034
dibutanoyl butanedioate
CID 88643975
heptanoyl octaneperoxoate
CID 142686679
chloromethyl butanoate
CID 2725008
heptadecanoyl heptadecaneperoxoate
CID 53438513
octanoyl tridecaneperoxoate
CID 141014591
butanoyl 2-oxodecaneperoxoate
CID 140747300
acetyl butaneperoxoate;aziridin-2-one
CID 126720861

Frequently Asked Questions

What is the IUPAC name of carbonochloridoyl butaneperoxoate?
The IUPAC name of carbonochloridoyl butaneperoxoate (CID 126720955) is carbonochloridoyl butaneperoxoate.
What is the SMILES notation for carbonochloridoyl butaneperoxoate?
The canonical SMILES for carbonochloridoyl butaneperoxoate is CCCC(=O)OOC(=O)Cl.
What is the InChIKey of carbonochloridoyl butaneperoxoate?
The InChIKey is NOKMZLASTHXTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO4/c1-2-3-4(7)9-10-5(6)8/h2-3H2,1H3.
What are the key properties of carbonochloridoyl butaneperoxoate?
carbonochloridoyl butaneperoxoate has a molecular weight of 166.56 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridoyl butaneperoxoate is sourced from PubChem (CID 126720955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).