prop-2-enyl decaneperoxoate

C13H24O3 — CID 150777769

IUPACprop-2-enyl decaneperoxoate
SMILESC=CCOOC(=O)CCCCCCCCC
InChIInChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-11-13(14)16-15-12-4-2/h4H,2-3,5-12H2,1H3
InChIKeyKBFIMBKFOPEVPA-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.79
Rot. Bonds11

About prop-2-enyl decaneperoxoate

prop-2-enyl decaneperoxoate (PubChem CID 150777769) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is prop-2-enyl decaneperoxoate.

Molecular Properties

Compound Nameprop-2-enyl decaneperoxoate
PubChem CID150777769
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nameprop-2-enyl decaneperoxoate
SMILESC=CCOOC(=O)CCCCCCCCC
InChIInChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-11-13(14)16-15-12-4-2/h4H,2-3,5-12H2,1H3
InChIKeyKBFIMBKFOPEVPA-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl pentadecanoate
CID 87531612
prop-2-enyl tridecanoate
CID 91752122
heptadecanoyl heptadecaneperoxoate
CID 53438513
heptanoyl octaneperoxoate
CID 142686679
octanoyl tridecaneperoxoate
CID 141014591
[(E)-hept-2-enyl] hexaneperoxoate
CID 175496432
[(E)-oct-2-enyl] hexaneperoxoate
CID 175496356
ethenyl heptatriacontanoate
CID 139682782
octadecyl octadecaneperoxoate
CID 139705570
ethenyl octacosanoate
CID 54439588
ethenyl tetracontanoate
CID 139682936
ethenyl henpentacontanoate
CID 139683011

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl decaneperoxoate?
The IUPAC name of prop-2-enyl decaneperoxoate (CID 150777769) is prop-2-enyl decaneperoxoate.
What is the SMILES notation for prop-2-enyl decaneperoxoate?
The canonical SMILES for prop-2-enyl decaneperoxoate is C=CCOOC(=O)CCCCCCCCC.
What is the InChIKey of prop-2-enyl decaneperoxoate?
The InChIKey is KBFIMBKFOPEVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-11-13(14)16-15-12-4-2/h4H,2-3,5-12H2,1H3.
What are the key properties of prop-2-enyl decaneperoxoate?
prop-2-enyl decaneperoxoate has a molecular weight of 228.33 g/mol, XLogP of 3.79, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl decaneperoxoate is sourced from PubChem (CID 150777769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).