acetyl decaneperoxoate

C12H22O4 — CID 18943120

IUPACacetyl decaneperoxoate
SMILESCCCCCCCCCC(=O)OOC(C)=O
InChIInChI=1S/C12H22O4/c1-3-4-5-6-7-8-9-10-12(14)16-15-11(2)13/h3-10H2,1-2H3
InChIKeyRCDMTZWZDWUPHE-UHFFFAOYSA-N
MW230.30 g/mol
LogP3.15
Rot. Bonds8

About acetyl decaneperoxoate

acetyl decaneperoxoate (PubChem CID 18943120) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is acetyl decaneperoxoate.

Molecular Properties

Compound Nameacetyl decaneperoxoate
PubChem CID18943120
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Nameacetyl decaneperoxoate
SMILESCCCCCCCCCC(=O)OOC(C)=O
InChIInChI=1S/C12H22O4/c1-3-4-5-6-7-8-9-10-12(14)16-15-11(2)13/h3-10H2,1-2H3
InChIKeyRCDMTZWZDWUPHE-UHFFFAOYSA-N
XLogP3.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 53.15
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

acetyl ethaneperoxoate;decanoyl decaneperoxoate;dodecanoyl dodecaneperoxoate
CID 159864612
heptadecanoyl heptadecaneperoxoate
CID 53438513
heptanoyl octaneperoxoate
CID 142686679
octanoyl tridecaneperoxoate
CID 141014591
butanoyl octaneperoxoate
CID 155389347
propanoyl dodecaneperoxoate
CID 88596729
dodecanoyl dodecaneperoxoate;propan-2-ol
CID 174989441
stibanyl heptanoate
CID 174839221
undecanoyloxy undecaneperoxoate
CID 88844001
3-methylsulfanylpropanoyl hexadecaneperoxoate
CID 162488789
octadecanoyl octadecaneperoxoate;1-octoxydodecane
CID 175159083
2-tert-butylperoxy-2-methylpropane;decanoyl decaneperoxoate
CID 174818904

Frequently Asked Questions

What is the IUPAC name of acetyl decaneperoxoate?
The IUPAC name of acetyl decaneperoxoate (CID 18943120) is acetyl decaneperoxoate.
What is the SMILES notation for acetyl decaneperoxoate?
The canonical SMILES for acetyl decaneperoxoate is CCCCCCCCCC(=O)OOC(C)=O.
What is the InChIKey of acetyl decaneperoxoate?
The InChIKey is RCDMTZWZDWUPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-3-4-5-6-7-8-9-10-12(14)16-15-11(2)13/h3-10H2,1-2H3.
What are the key properties of acetyl decaneperoxoate?
acetyl decaneperoxoate has a molecular weight of 230.30 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl decaneperoxoate is sourced from PubChem (CID 18943120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).