hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate

C18H26O3Si — CID 173265282

IUPAChexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
SMILESC=C[Si](C)(C=C)c1ccc(C(=O)OOCCCCCC)cc1
InChIInChI=1S/C18H26O3Si/c1-5-8-9-10-15-20-21-18(19)16-11-13-17(14-12-16)22(4,6-2)7-3/h6-7,11-14H,2-3,5,8-10,15H2,1,4H3
InChIKeyIEFZLKJKAXEFNT-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.09
Rot. Bonds10

About hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate

hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate (PubChem CID 173265282) has the molecular formula C18H26O3Si and a molecular weight of 318.49 g/mol. Its IUPAC name is hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate.

Molecular Properties

Compound Namehexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
PubChem CID173265282
Molecular FormulaC18H26O3Si
Molecular Weight318.49 g/mol
Exact Mass318.17
IUPAC Namehexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
SMILESC=C[Si](C)(C=C)c1ccc(C(=O)OOCCCCCC)cc1
InChIInChI=1S/C18H26O3Si/c1-5-8-9-10-15-20-21-18(19)16-11-13-17(14-12-16)22(4,6-2)7-3/h6-7,11-14H,2-3,5,8-10,15H2,1,4H3
InChIKeyIEFZLKJKAXEFNT-UHFFFAOYSA-N
XLogP4.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.09
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

octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267419
hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267977
heptyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173267843
heptyl 4-trimethylsilylbenzenecarboperoxoate
CID 173265584
butyl 4-trimethylsilylbenzenecarboperoxoate
CID 173266765
pentyl 4-ethoxybenzenecarboperoxoate
CID 173266271
decyl 4-methoxybenzenecarboperoxoate
CID 173266038
octadecyl 4-propan-2-ylbenzenecarboperoxoate
CID 173266400
cerium;pentyl benzenecarboperoxoate
CID 159802548
1-dodecylperoxydodecane;(4-methylbenzoyl) 4-methylbenzenecarboperoxoate
CID 174783288
bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] benzene-1,4-dicarboperoxoate
CID 154255767
ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173267153

Frequently Asked Questions

What is the IUPAC name of hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate?
The IUPAC name of hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate (CID 173265282) is hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate.
What is the SMILES notation for hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate?
The canonical SMILES for hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate is C=C[Si](C)(C=C)c1ccc(C(=O)OOCCCCCC)cc1.
What is the InChIKey of hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate?
The InChIKey is IEFZLKJKAXEFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3Si/c1-5-8-9-10-15-20-21-18(19)16-11-13-17(14-12-16)22(4,6-2)7-3/h6-7,11-14H,2-3,5,8-10,15H2,1,4H3.
What are the key properties of hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate?
hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate has a molecular weight of 318.49 g/mol, XLogP of 4.09, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate is sourced from PubChem (CID 173265282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).