[1-[4-[ethenyl(dimethyl)silyl]benzoyl]peroxy-3-(3-propoxypropoxy)propyl] 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate

C31H44O8Si2 — CID 173265787

IUPAC[1-[4-[ethenyl(dimethyl)silyl]benzoyl]peroxy-3-(3-propoxypropoxy)propyl] 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate
SMILESC=C[Si](C)(C)c1ccc(C(=O)OOC(CCOCCCOCCC)OOC(=O)c2ccc([Si](C)(C)C=C)cc2)cc1
InChIInChI=1S/C31H44O8Si2/c1-8-21-34-22-11-23-35-24-20-29(36-38-30(32)25-12-16-27(17-13-25)40(4,5)9-2)37-39-31(33)26-14-18-28(19-15-26)41(6,7)10-3/h9-10,12-19,29H,2-3,8,11,20-24H2,1,4-7H3
InChIKeyIOUOGKILDOFMHW-UHFFFAOYSA-N
MW600.86 g/mol
LogP5.39
Rot. Bonds19

About [1-[4-[ethenyl(dimethyl)silyl]benzoyl]peroxy-3-(3-propoxypropoxy)propyl] 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate

[1-[4-[ethenyl(dimethyl)silyl]benzoyl]peroxy-3-(3-propoxypropoxy)propyl] 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate (PubChem CID 173265787) has the molecular formula C31H44O8Si2 and a molecular weight of 600.86 g/mol. Its IUPAC name is [1-[4-[ethenyl(dimethyl)silyl]benzoyl]peroxy-3-(3-propoxypropoxy)propyl] 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate.

Molecular Properties

Compound Name[1-[4-[ethenyl(dimethyl)silyl]benzoyl]peroxy-3-(3-propoxypropoxy)propyl] 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate
PubChem CID173265787
Molecular FormulaC31H44O8Si2
Molecular Weight600.86 g/mol
Exact Mass600.26
IUPAC Name[1-[4-[ethenyl(dimethyl)silyl]benzoyl]peroxy-3-(3-propoxypropoxy)propyl] 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate
SMILESC=C[Si](C)(C)c1ccc(C(=O)OOC(CCOCCCOCCC)OOC(=O)c2ccc([Si](C)(C)C=C)cc2)cc1
InChIInChI=1S/C31H44O8Si2/c1-8-21-34-22-11-23-35-24-20-29(36-38-30(32)25-12-16-27(17-13-25)40(4,5)9-2)37-39-31(33)26-14-18-28(19-15-26)41(6,7)10-3/h9-10,12-19,29H,2-3,8,11,20-24H2,1,4-7H3
InChIKeyIOUOGKILDOFMHW-UHFFFAOYSA-N
XLogP5.39
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.86
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[3-propoxy-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate
CID 173267585
[1-(4-propan-2-ylbenzoyl)peroxy-3-propoxypropyl] 4-propan-2-ylbenzenecarboperoxoate
CID 173266310
[1-(4-hexylbenzoyl)peroxy-3-propoxypropyl] 4-hexylbenzenecarboperoxoate
CID 173266296
1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate
CID 173266501
1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate
CID 173266423
1-(4-ethylbenzoyl)peroxypentyl 4-ethylbenzenecarboperoxoate
CID 173266370
1-(4-methoxybenzoyl)peroxypentyl 4-methoxybenzenecarboperoxoate
CID 173266577
hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
CID 173265282
1-(4-methylbenzoyl)peroxyhexadecyl 4-methylbenzenecarboperoxoate
CID 173265367
1-(4-ethylbenzoyl)peroxyoctyl 4-ethylbenzenecarboperoxoate
CID 173267169
1-(4-pentylbenzoyl)peroxyhexyl 4-pentylbenzenecarboperoxoate
CID 173265747
bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] benzene-1,4-dicarboperoxoate
CID 154255767

Frequently Asked Questions

What is the IUPAC name of [1-[4-[ethenyl(dimethyl)silyl]benzoyl]peroxy-3-(3-propoxypropoxy)propyl] 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate?
The IUPAC name of [1-[4-[ethenyl(dimethyl)silyl]benzoyl]peroxy-3-(3-propoxypropoxy)propyl] 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate (CID 173265787) is [1-[4-[ethenyl(dimethyl)silyl]benzoyl]peroxy-3-(3-propoxypropoxy)propyl] 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate.
What is the SMILES notation for [1-[4-[ethenyl(dimethyl)silyl]benzoyl]peroxy-3-(3-propoxypropoxy)propyl] 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate?
The canonical SMILES for [1-[4-[ethenyl(dimethyl)silyl]benzoyl]peroxy-3-(3-propoxypropoxy)propyl] 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate is C=C[Si](C)(C)c1ccc(C(=O)OOC(CCOCCCOCCC)OOC(=O)c2ccc([Si](C)(C)C=C)cc2)cc1.
What is the InChIKey of [1-[4-[ethenyl(dimethyl)silyl]benzoyl]peroxy-3-(3-propoxypropoxy)propyl] 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate?
The InChIKey is IOUOGKILDOFMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44O8Si2/c1-8-21-34-22-11-23-35-24-20-29(36-38-30(32)25-12-16-27(17-13-25)40(4,5)9-2)37-39-31(33)26-14-18-28(19-15-26)41(6,7)10-3/h9-10,12-19,29H,2-3,8,11,20-24H2,1,4-7H3.
What are the key properties of [1-[4-[ethenyl(dimethyl)silyl]benzoyl]peroxy-3-(3-propoxypropoxy)propyl] 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate?
[1-[4-[ethenyl(dimethyl)silyl]benzoyl]peroxy-3-(3-propoxypropoxy)propyl] 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate has a molecular weight of 600.86 g/mol, XLogP of 5.39, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[ethenyl(dimethyl)silyl]benzoyl]peroxy-3-(3-propoxypropoxy)propyl] 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate is sourced from PubChem (CID 173265787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).