butanoyl 2-oxodecaneperoxoate

C14H24O5 — CID 140747300

IUPACbutanoyl 2-oxodecaneperoxoate
SMILESCCCCCCCCC(=O)C(=O)OOC(=O)CCC
InChIInChI=1S/C14H24O5/c1-3-5-6-7-8-9-11-12(15)14(17)19-18-13(16)10-4-2/h3-11H2,1-2H3
InChIKeyDWTOABZSDIWSPS-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.11
Rot. Bonds10

About butanoyl 2-oxodecaneperoxoate

butanoyl 2-oxodecaneperoxoate (PubChem CID 140747300) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is butanoyl 2-oxodecaneperoxoate.

Molecular Properties

Compound Namebutanoyl 2-oxodecaneperoxoate
PubChem CID140747300
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Namebutanoyl 2-oxodecaneperoxoate
SMILESCCCCCCCCC(=O)C(=O)OOC(=O)CCC
InChIInChI=1S/C14H24O5/c1-3-5-6-7-8-9-11-12(15)14(17)19-18-13(16)10-4-2/h3-11H2,1-2H3
InChIKeyDWTOABZSDIWSPS-UHFFFAOYSA-N
XLogP3.11
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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
heptadecanoyl heptadecaneperoxoate
CID 53438513
heptanoyl octaneperoxoate
CID 142686679
octanoyl tridecaneperoxoate
CID 141014591
propanoyl dodecaneperoxoate
CID 88596729
dodecanoyl dodecaneperoxoate;propan-2-ol
CID 174989441
acetyl ethaneperoxoate;decanoyl decaneperoxoate;dodecanoyl dodecaneperoxoate
CID 159864612
acetyl decaneperoxoate
CID 18943120
nonatriacontane-16,17-dione
CID 175447711
octadecane-9,10-dione
CID 10902085
undecanoyloxy undecaneperoxoate
CID 88844001
hexadecyl 2-oxooctanoate
CID 145051782

Frequently Asked Questions

What is the IUPAC name of butanoyl 2-oxodecaneperoxoate?
The IUPAC name of butanoyl 2-oxodecaneperoxoate (CID 140747300) is butanoyl 2-oxodecaneperoxoate.
What is the SMILES notation for butanoyl 2-oxodecaneperoxoate?
The canonical SMILES for butanoyl 2-oxodecaneperoxoate is CCCCCCCCC(=O)C(=O)OOC(=O)CCC.
What is the InChIKey of butanoyl 2-oxodecaneperoxoate?
The InChIKey is DWTOABZSDIWSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-3-5-6-7-8-9-11-12(15)14(17)19-18-13(16)10-4-2/h3-11H2,1-2H3.
What are the key properties of butanoyl 2-oxodecaneperoxoate?
butanoyl 2-oxodecaneperoxoate has a molecular weight of 272.34 g/mol, XLogP of 3.11, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butanoyl 2-oxodecaneperoxoate is sourced from PubChem (CID 140747300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).