heptanoyl octaneperoxoate

C15H28O4 — CID 142686679

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

About heptanoyl octaneperoxoate

heptanoyl octaneperoxoate (PubChem CID 142686679) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is heptanoyl octaneperoxoate.

Molecular Properties

Compound Nameheptanoyl octaneperoxoate
PubChem CID142686679
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Nameheptanoyl octaneperoxoate
SMILESCCCCCCCC(=O)OOC(=O)CCCCCC
InChIInChI=1S/C15H28O4/c1-3-5-7-9-11-13-15(17)19-18-14(16)12-10-8-6-4-2/h3-13H2,1-2H3
InChIKeyUCBRYEQPOQUUJC-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
octanoyl tridecaneperoxoate
CID 141014591
butanoyl octaneperoxoate
CID 155389347
propanoyl dodecaneperoxoate
CID 88596729
dodecanoyl dodecaneperoxoate;propan-2-ol
CID 174989441
acetyl ethaneperoxoate;decanoyl decaneperoxoate;dodecanoyl dodecaneperoxoate
CID 159864612
acetyl decaneperoxoate
CID 18943120
undecanoyloxy undecaneperoxoate
CID 88844001
octadecanoyl octadecaneperoxoate;1-octoxydodecane
CID 175159083
2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate
CID 174818904
amino nonaneperoxoate
CID 174849727
3-methylsulfanylpropanoyl hexadecaneperoxoate
CID 162488789

Frequently Asked Questions

What is the IUPAC name of heptanoyl octaneperoxoate?
The IUPAC name of heptanoyl octaneperoxoate (CID 142686679) is heptanoyl octaneperoxoate.
What is the SMILES notation for heptanoyl octaneperoxoate?
The canonical SMILES for heptanoyl octaneperoxoate is CCCCCCCC(=O)OOC(=O)CCCCCC.
What is the InChIKey of heptanoyl octaneperoxoate?
The InChIKey is UCBRYEQPOQUUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-3-5-7-9-11-13-15(17)19-18-14(16)12-10-8-6-4-2/h3-13H2,1-2H3.
What are the key properties of heptanoyl octaneperoxoate?
heptanoyl octaneperoxoate 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 heptanoyl octaneperoxoate is sourced from PubChem (CID 142686679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).