ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate

C15H22O3Si — CID 173267153

IUPACethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
SMILESC=C[Si](CC)(CC)c1ccc(C(=O)OOCC)cc1
InChIInChI=1S/C15H22O3Si/c1-5-17-18-15(16)13-9-11-14(12-10-13)19(6-2,7-3)8-4/h6,9-12H,2,5,7-8H2,1,3-4H3
InChIKeyPCGOKGRBRPZHSB-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.22
Rot. Bonds7

About ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate

ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate (PubChem CID 173267153) has the molecular formula C15H22O3Si and a molecular weight of 278.42 g/mol. Its IUPAC name is ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate.

Molecular Properties

Compound Nameethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
PubChem CID173267153
Molecular FormulaC15H22O3Si
Molecular Weight278.42 g/mol
Exact Mass278.13
IUPAC Nameethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
SMILESC=C[Si](CC)(CC)c1ccc(C(=O)OOCC)cc1
InChIInChI=1S/C15H22O3Si/c1-5-17-18-15(16)13-9-11-14(12-10-13)19(6-2,7-3)8-4/h6,9-12H,2,5,7-8H2,1,3-4H3
InChIKeyPCGOKGRBRPZHSB-UHFFFAOYSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

heptyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173267843
3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173267497
(2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173266229
octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267419
hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267977
hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
CID 173265282
2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267997
butyl 4-trimethylsilylbenzenecarboperoxoate
CID 173266765
ethyl pyridine-3-carboperoxoate
CID 143721352
heptyl 4-trimethylsilylbenzenecarboperoxoate
CID 173265584
diethyl 4-[3,4-bis(ethylperoxycarbonyl)benzoyl]benzene-1,2-dicarboperoxoate
CID 139633645
2-ethoxyethyl 4-ethoxybenzenecarboperoxoate
CID 173265434

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate?
The IUPAC name of ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate (CID 173267153) is ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate.
What is the SMILES notation for ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate?
The canonical SMILES for ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate is C=C[Si](CC)(CC)c1ccc(C(=O)OOCC)cc1.
What is the InChIKey of ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate?
The InChIKey is PCGOKGRBRPZHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3Si/c1-5-17-18-15(16)13-9-11-14(12-10-13)19(6-2,7-3)8-4/h6,9-12H,2,5,7-8H2,1,3-4H3.
What are the key properties of ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate?
ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate has a molecular weight of 278.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate is sourced from PubChem (CID 173267153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).