octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate

C21H32O3Si — CID 173267419

IUPACoctyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
SMILESC=C[Si](C=C)(CC)c1ccc(C(=O)OOCCCCCCCC)cc1
InChIInChI=1S/C21H32O3Si/c1-5-9-10-11-12-13-18-23-24-21(22)19-14-16-20(17-15-19)25(6-2,7-3)8-4/h6-7,14-17H,2-3,5,8-13,18H2,1,4H3
InChIKeyBZPRMSIVFLWVOG-UHFFFAOYSA-N
MW360.57 g/mol
LogP5.26
Rot. Bonds13

About octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate

octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate (PubChem CID 173267419) has the molecular formula C21H32O3Si and a molecular weight of 360.57 g/mol. Its IUPAC name is octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate.

Molecular Properties

Compound Nameoctyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
PubChem CID173267419
Molecular FormulaC21H32O3Si
Molecular Weight360.57 g/mol
Exact Mass360.21
IUPAC Nameoctyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
SMILESC=C[Si](C=C)(CC)c1ccc(C(=O)OOCCCCCCCC)cc1
InChIInChI=1S/C21H32O3Si/c1-5-9-10-11-12-13-18-23-24-21(22)19-14-16-20(17-15-19)25(6-2,7-3)8-4/h6-7,14-17H,2-3,5,8-13,18H2,1,4H3
InChIKeyBZPRMSIVFLWVOG-UHFFFAOYSA-N
XLogP5.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.57
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267977
heptyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173267843
hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
CID 173265282
heptyl 4-trimethylsilylbenzenecarboperoxoate
CID 173265584
2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267997
butyl 4-trimethylsilylbenzenecarboperoxoate
CID 173266765
decyl 4-methoxybenzenecarboperoxoate
CID 173266038
octadecyl 4-propan-2-ylbenzenecarboperoxoate
CID 173266400
pentyl 4-ethoxybenzenecarboperoxoate
CID 173266271
cerium;pentyl benzenecarboperoxoate
CID 159802548
1-dodecylperoxydodecane;(4-methylbenzoyl) 4-methylbenzenecarboperoxoate
CID 174783288
ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173267153

Frequently Asked Questions

What is the IUPAC name of octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate?
The IUPAC name of octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate (CID 173267419) is octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate.
What is the SMILES notation for octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate?
The canonical SMILES for octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate is C=C[Si](C=C)(CC)c1ccc(C(=O)OOCCCCCCCC)cc1.
What is the InChIKey of octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate?
The InChIKey is BZPRMSIVFLWVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O3Si/c1-5-9-10-11-12-13-18-23-24-21(22)19-14-16-20(17-15-19)25(6-2,7-3)8-4/h6-7,14-17H,2-3,5,8-13,18H2,1,4H3.
What are the key properties of octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate?
octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate has a molecular weight of 360.57 g/mol, XLogP of 5.26, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate is sourced from PubChem (CID 173267419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).