diethylphosphane;ethyl butaneperoxoate

C10H23O3P — CID 174274591

IUPACdiethylphosphane;ethyl butaneperoxoate
SMILESCCCC(=O)OOCC.CCPCC
InChIInChI=1S/C6H12O3.C4H11P/c1-3-5-6(7)9-8-4-2;1-3-5-4-2/h3-5H2,1-2H3;5H,3-4H2,1-2H3
InChIKeySGVUVXPFRCQCDA-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.99
Rot. Bonds6

About diethylphosphane;ethyl butaneperoxoate

diethylphosphane;ethyl butaneperoxoate (PubChem CID 174274591) has the molecular formula C10H23O3P and a molecular weight of 222.26 g/mol. Its IUPAC name is diethylphosphane;ethyl butaneperoxoate.

Molecular Properties

Compound Namediethylphosphane;ethyl butaneperoxoate
PubChem CID174274591
Molecular FormulaC10H23O3P
Molecular Weight222.26 g/mol
Exact Mass222.14
IUPAC Namediethylphosphane;ethyl butaneperoxoate
SMILESCCCC(=O)OOCC.CCPCC
InChIInChI=1S/C6H12O3.C4H11P/c1-3-5-6(7)9-8-4-2;1-3-5-4-2/h3-5H2,1-2H3;5H,3-4H2,1-2H3
InChIKeySGVUVXPFRCQCDA-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl butaneperoxoate;zirconium
CID 159069953
ethyl 10-ethylperoxy-10-oxodecanoate
CID 23158818
3-methylbutyl butaneperoxoate
CID 54566629
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
carbonochloridoyl butaneperoxoate
CID 126720955
butanoyl octaneperoxoate
CID 155389347
dibutyl butanediperoxoate
CID 154146674
dibutanoyl butanedioate
CID 88643975
[butanoyloxy(methyl)phosphanyl] butanoate
CID 23414681
2-aminopropanoyl butaneperoxoate
CID 139674413
methyl butanoate;tetrahydrochloride
CID 173289582

Frequently Asked Questions

What is the IUPAC name of diethylphosphane;ethyl butaneperoxoate?
The IUPAC name of diethylphosphane;ethyl butaneperoxoate (CID 174274591) is diethylphosphane;ethyl butaneperoxoate.
What is the SMILES notation for diethylphosphane;ethyl butaneperoxoate?
The canonical SMILES for diethylphosphane;ethyl butaneperoxoate is CCCC(=O)OOCC.CCPCC.
What is the InChIKey of diethylphosphane;ethyl butaneperoxoate?
The InChIKey is SGVUVXPFRCQCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C4H11P/c1-3-5-6(7)9-8-4-2;1-3-5-4-2/h3-5H2,1-2H3;5H,3-4H2,1-2H3.
What are the key properties of diethylphosphane;ethyl butaneperoxoate?
diethylphosphane;ethyl butaneperoxoate has a molecular weight of 222.26 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethylphosphane;ethyl butaneperoxoate is sourced from PubChem (CID 174274591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).