3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate

C18H28O4Si — CID 173267497

IUPAC3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
SMILESC=C[Si](CC)(CC)c1ccc(C(=O)OOCCC(C)OC)cc1
InChIInChI=1S/C18H28O4Si/c1-6-23(7-2,8-3)17-11-9-16(10-12-17)18(19)22-21-14-13-15(4)20-5/h6,9-12,15H,1,7-8,13-14H2,2-5H3
InChIKeyMTUUBICCQWQKSA-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.62
Rot. Bonds10

About 3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate

3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate (PubChem CID 173267497) has the molecular formula C18H28O4Si and a molecular weight of 336.50 g/mol. Its IUPAC name is 3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate.

Molecular Properties

Compound Name3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
PubChem CID173267497
Molecular FormulaC18H28O4Si
Molecular Weight336.50 g/mol
Exact Mass336.18
IUPAC Name3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
SMILESC=C[Si](CC)(CC)c1ccc(C(=O)OOCCC(C)OC)cc1
InChIInChI=1S/C18H28O4Si/c1-6-23(7-2,8-3)17-11-9-16(10-12-17)18(19)22-21-14-13-15(4)20-5/h6,9-12,15H,1,7-8,13-14H2,2-5H3
InChIKeyMTUUBICCQWQKSA-UHFFFAOYSA-N
XLogP3.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.62
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

ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173267153
heptyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173267843
3-methoxybutyl 4-methylbenzenecarboperoxoate
CID 173267528
3-methoxybutyl 4-propan-2-ylbenzenecarboperoxoate
CID 173266525
octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267419
hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267977
(2-methylcyclohexyl) 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173266229
hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
CID 173265282
3-methoxybutyl 2,6-dimethoxybenzenecarboperoxoate
CID 173267382
2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267997
butyl 4-trimethylsilylbenzenecarboperoxoate
CID 173266765
heptyl 4-trimethylsilylbenzenecarboperoxoate
CID 173265584

Frequently Asked Questions

What is the IUPAC name of 3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate?
The IUPAC name of 3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate (CID 173267497) is 3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate.
What is the SMILES notation for 3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate?
The canonical SMILES for 3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate is C=C[Si](CC)(CC)c1ccc(C(=O)OOCCC(C)OC)cc1.
What is the InChIKey of 3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate?
The InChIKey is MTUUBICCQWQKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4Si/c1-6-23(7-2,8-3)17-11-9-16(10-12-17)18(19)22-21-14-13-15(4)20-5/h6,9-12,15H,1,7-8,13-14H2,2-5H3.
What are the key properties of 3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate?
3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate has a molecular weight of 336.50 g/mol, XLogP of 3.62, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybutyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate is sourced from PubChem (CID 173267497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).