propanoyl dodecaneperoxoate

C15H28O4 — CID 88596729

IUPACpropanoyl dodecaneperoxoate
SMILESCCCCCCCCCCCC(=O)OOC(=O)CC
InChIInChI=1S/C15H28O4/c1-3-5-6-7-8-9-10-11-12-13-15(17)19-18-14(16)4-2/h3-13H2,1-2H3
InChIKeyFFHWBUCKXFNGED-UHFFFAOYSA-N
MW272.38 g/mol
LogP4.32
Rot. Bonds11

About propanoyl dodecaneperoxoate

propanoyl dodecaneperoxoate (PubChem CID 88596729) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is propanoyl dodecaneperoxoate.

Molecular Properties

Compound Namepropanoyl dodecaneperoxoate
PubChem CID88596729
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Namepropanoyl dodecaneperoxoate
SMILESCCCCCCCCCCCC(=O)OOC(=O)CC
InChIInChI=1S/C15H28O4/c1-3-5-6-7-8-9-10-11-12-13-15(17)19-18-14(16)4-2/h3-13H2,1-2H3
InChIKeyFFHWBUCKXFNGED-UHFFFAOYSA-N
XLogP4.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

heptadecanoyl heptadecaneperoxoate
CID 53438513
heptanoyl octaneperoxoate
CID 142686679
octanoyl tridecaneperoxoate
CID 141014591
butanoyl octaneperoxoate
CID 155389347
dodecanoyl dodecaneperoxoate;propan-2-ol
CID 174989441
acetyl ethaneperoxoate;decanoyl decaneperoxoate;dodecanoyl dodecaneperoxoate
CID 159864612
acetyl decaneperoxoate
CID 18943120
undecanoyloxy undecaneperoxoate
CID 88844001
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209

Frequently Asked Questions

What is the IUPAC name of propanoyl dodecaneperoxoate?
The IUPAC name of propanoyl dodecaneperoxoate (CID 88596729) is propanoyl dodecaneperoxoate.
What is the SMILES notation for propanoyl dodecaneperoxoate?
The canonical SMILES for propanoyl dodecaneperoxoate is CCCCCCCCCCCC(=O)OOC(=O)CC.
What is the InChIKey of propanoyl dodecaneperoxoate?
The InChIKey is FFHWBUCKXFNGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-3-5-6-7-8-9-10-11-12-13-15(17)19-18-14(16)4-2/h3-13H2,1-2H3.
What are the key properties of propanoyl dodecaneperoxoate?
propanoyl dodecaneperoxoate has a molecular weight of 272.38 g/mol, XLogP of 4.32, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propanoyl dodecaneperoxoate is sourced from PubChem (CID 88596729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).