heptyl 4-trimethylsilylbenzenecarboperoxoate

C17H28O3Si — CID 173265584

IUPACheptyl 4-trimethylsilylbenzenecarboperoxoate
SMILESCCCCCCCOOC(=O)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C17H28O3Si/c1-5-6-7-8-9-14-19-20-17(18)15-10-12-16(13-11-15)21(2,3)4/h10-13H,5-9,14H2,1-4H3
InChIKeyHSPRUXLCCWZSLH-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.29
Rot. Bonds9

About heptyl 4-trimethylsilylbenzenecarboperoxoate

heptyl 4-trimethylsilylbenzenecarboperoxoate (PubChem CID 173265584) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is heptyl 4-trimethylsilylbenzenecarboperoxoate.

Molecular Properties

Compound Nameheptyl 4-trimethylsilylbenzenecarboperoxoate
PubChem CID173265584
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Nameheptyl 4-trimethylsilylbenzenecarboperoxoate
SMILESCCCCCCCOOC(=O)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C17H28O3Si/c1-5-6-7-8-9-14-19-20-17(18)15-10-12-16(13-11-15)21(2,3)4/h10-13H,5-9,14H2,1-4H3
InChIKeyHSPRUXLCCWZSLH-UHFFFAOYSA-N
XLogP4.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.29
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

butyl 4-trimethylsilylbenzenecarboperoxoate
CID 173266765
hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
CID 173265282
decyl 4-methoxybenzenecarboperoxoate
CID 173266038
heptyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173267843
octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267419
hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267977
octadecyl 4-propan-2-ylbenzenecarboperoxoate
CID 173266400
pentyl 4-ethoxybenzenecarboperoxoate
CID 173266271
cerium;pentyl benzenecarboperoxoate
CID 159802548
1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate
CID 173266501
1-dodecylperoxydodecane;(4-methylbenzoyl) 4-methylbenzenecarboperoxoate
CID 174783288
bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] benzene-1,4-dicarboperoxoate
CID 154255767

Frequently Asked Questions

What is the IUPAC name of heptyl 4-trimethylsilylbenzenecarboperoxoate?
The IUPAC name of heptyl 4-trimethylsilylbenzenecarboperoxoate (CID 173265584) is heptyl 4-trimethylsilylbenzenecarboperoxoate.
What is the SMILES notation for heptyl 4-trimethylsilylbenzenecarboperoxoate?
The canonical SMILES for heptyl 4-trimethylsilylbenzenecarboperoxoate is CCCCCCCOOC(=O)c1ccc([Si](C)(C)C)cc1.
What is the InChIKey of heptyl 4-trimethylsilylbenzenecarboperoxoate?
The InChIKey is HSPRUXLCCWZSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-5-6-7-8-9-14-19-20-17(18)15-10-12-16(13-11-15)21(2,3)4/h10-13H,5-9,14H2,1-4H3.
What are the key properties of heptyl 4-trimethylsilylbenzenecarboperoxoate?
heptyl 4-trimethylsilylbenzenecarboperoxoate has a molecular weight of 308.49 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl 4-trimethylsilylbenzenecarboperoxoate is sourced from PubChem (CID 173265584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).