butyl 4-trimethylsilylbenzenecarboperoxoate

C14H22O3Si — CID 173266765

IUPACbutyl 4-trimethylsilylbenzenecarboperoxoate
SMILESCCCCOOC(=O)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C14H22O3Si/c1-5-6-11-16-17-14(15)12-7-9-13(10-8-12)18(2,3)4/h7-10H,5-6,11H2,1-4H3
InChIKeyXZBKDLLRDDQQQS-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.12
Rot. Bonds6

About butyl 4-trimethylsilylbenzenecarboperoxoate

butyl 4-trimethylsilylbenzenecarboperoxoate (PubChem CID 173266765) has the molecular formula C14H22O3Si and a molecular weight of 266.41 g/mol. Its IUPAC name is butyl 4-trimethylsilylbenzenecarboperoxoate.

Molecular Properties

Compound Namebutyl 4-trimethylsilylbenzenecarboperoxoate
PubChem CID173266765
Molecular FormulaC14H22O3Si
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Namebutyl 4-trimethylsilylbenzenecarboperoxoate
SMILESCCCCOOC(=O)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C14H22O3Si/c1-5-6-11-16-17-14(15)12-7-9-13(10-8-12)18(2,3)4/h7-10H,5-6,11H2,1-4H3
InChIKeyXZBKDLLRDDQQQS-UHFFFAOYSA-N
XLogP3.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.12
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

heptyl 4-trimethylsilylbenzenecarboperoxoate
CID 173265584
bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] benzene-1,4-dicarboperoxoate
CID 154255767
hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
CID 173265282
pentyl 4-ethoxybenzenecarboperoxoate
CID 173266271
decyl 4-methoxybenzenecarboperoxoate
CID 173266038
1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate
CID 173266501
octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267419
hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267977
heptyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173267843
benzenecarboperoxoic acid;butyl benzenecarboperoxoate
CID 87774201
1-hydroxybutyl 4-butylperoxycarbonylbenzoate
CID 88903270
cerium;pentyl benzenecarboperoxoate
CID 159802548

Frequently Asked Questions

What is the IUPAC name of butyl 4-trimethylsilylbenzenecarboperoxoate?
The IUPAC name of butyl 4-trimethylsilylbenzenecarboperoxoate (CID 173266765) is butyl 4-trimethylsilylbenzenecarboperoxoate.
What is the SMILES notation for butyl 4-trimethylsilylbenzenecarboperoxoate?
The canonical SMILES for butyl 4-trimethylsilylbenzenecarboperoxoate is CCCCOOC(=O)c1ccc([Si](C)(C)C)cc1.
What is the InChIKey of butyl 4-trimethylsilylbenzenecarboperoxoate?
The InChIKey is XZBKDLLRDDQQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-5-6-11-16-17-14(15)12-7-9-13(10-8-12)18(2,3)4/h7-10H,5-6,11H2,1-4H3.
What are the key properties of butyl 4-trimethylsilylbenzenecarboperoxoate?
butyl 4-trimethylsilylbenzenecarboperoxoate has a molecular weight of 266.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-trimethylsilylbenzenecarboperoxoate is sourced from PubChem (CID 173266765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).