2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate

C23H36O4Si — CID 173267997

IUPAC2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
SMILESC=C[Si](C=C)(CC)c1ccc(C(=O)OOCCOCC(CC)CCCC)cc1
InChIInChI=1S/C23H36O4Si/c1-6-11-12-20(7-2)19-25-17-18-26-27-23(24)21-13-15-22(16-14-21)28(8-3,9-4)10-5/h8-9,13-16,20H,3-4,6-7,10-12,17-19H2,1-2,5H3
InChIKeyLIYJADBNAGBTFK-UHFFFAOYSA-N
MW404.62 g/mol
LogP5.13
Rot. Bonds15

About 2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate

2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate (PubChem CID 173267997) has the molecular formula C23H36O4Si and a molecular weight of 404.62 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate.

Molecular Properties

Compound Name2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
PubChem CID173267997
Molecular FormulaC23H36O4Si
Molecular Weight404.62 g/mol
Exact Mass404.24
IUPAC Name2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
SMILESC=C[Si](C=C)(CC)c1ccc(C(=O)OOCCOCC(CC)CCCC)cc1
InChIInChI=1S/C23H36O4Si/c1-6-11-12-20(7-2)19-25-17-18-26-27-23(24)21-13-15-22(16-14-21)28(8-3,9-4)10-5/h8-9,13-16,20H,3-4,6-7,10-12,17-19H2,1-2,5H3
InChIKeyLIYJADBNAGBTFK-UHFFFAOYSA-N
XLogP5.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.62
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267419
hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267977
2-(2-ethylhexoxy)ethyl 3-methylbenzenecarboperoxoate
CID 173267241
heptyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173267843
2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631959
hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
CID 173265282
bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] benzene-1,4-dicarboperoxoate
CID 154255767
butyl 4-trimethylsilylbenzenecarboperoxoate
CID 173266765
3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173267497
heptyl 4-trimethylsilylbenzenecarboperoxoate
CID 173265584
ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173267153
2-ethylhexyl 4-formylbenzoate
CID 138566584

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate?
The IUPAC name of 2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate (CID 173267997) is 2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate.
What is the SMILES notation for 2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate?
The canonical SMILES for 2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate is C=C[Si](C=C)(CC)c1ccc(C(=O)OOCCOCC(CC)CCCC)cc1.
What is the InChIKey of 2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate?
The InChIKey is LIYJADBNAGBTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O4Si/c1-6-11-12-20(7-2)19-25-17-18-26-27-23(24)21-13-15-22(16-14-21)28(8-3,9-4)10-5/h8-9,13-16,20H,3-4,6-7,10-12,17-19H2,1-2,5H3.
What are the key properties of 2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate?
2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate has a molecular weight of 404.62 g/mol, XLogP of 5.13, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate is sourced from PubChem (CID 173267997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).