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

C19H28O3Si — CID 173267977

IUPAChexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
SMILESC=C[Si](C=C)(CC)c1ccc(C(=O)OOCCCCCC)cc1
InChIInChI=1S/C19H28O3Si/c1-5-9-10-11-16-21-22-19(20)17-12-14-18(15-13-17)23(6-2,7-3)8-4/h6-7,12-15H,2-3,5,8-11,16H2,1,4H3
InChIKeyLDYLVCBJEDUAOX-UHFFFAOYSA-N
MW332.52 g/mol
LogP4.48
Rot. Bonds11

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

hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate (PubChem CID 173267977) has the molecular formula C19H28O3Si and a molecular weight of 332.52 g/mol. Its IUPAC name is hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate.

Molecular Properties

Compound Namehexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
PubChem CID173267977
Molecular FormulaC19H28O3Si
Molecular Weight332.52 g/mol
Exact Mass332.18
IUPAC Namehexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
SMILESC=C[Si](C=C)(CC)c1ccc(C(=O)OOCCCCCC)cc1
InChIInChI=1S/C19H28O3Si/c1-5-9-10-11-16-21-22-19(20)17-12-14-18(15-13-17)23(6-2,7-3)8-4/h6-7,12-15H,2-3,5,8-11,16H2,1,4H3
InChIKeyLDYLVCBJEDUAOX-UHFFFAOYSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.52
LogP ≤ 54.48
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'}

Analyze hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267419
heptyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173267843
hexyl 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
CID 173265282
heptyl 4-trimethylsilylbenzenecarboperoxoate
CID 173265584
2-(2-ethylhexoxy)ethyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate
CID 173267997
butyl 4-trimethylsilylbenzenecarboperoxoate
CID 173266765
decyl 4-methoxybenzenecarboperoxoate
CID 173266038
octadecyl 4-propan-2-ylbenzenecarboperoxoate
CID 173266400
pentyl 4-ethoxybenzenecarboperoxoate
CID 173266271
cerium;pentyl benzenecarboperoxoate
CID 159802548
1-dodecylperoxydodecane;(4-methylbenzoyl) 4-methylbenzenecarboperoxoate
CID 174783288
ethyl 4-[ethenyl(diethyl)silyl]benzenecarboperoxoate
CID 173267153

Frequently Asked Questions

What is the IUPAC name of hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate?
The IUPAC name of hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate (CID 173267977) is hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate.
What is the SMILES notation for hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate?
The canonical SMILES for hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate is C=C[Si](C=C)(CC)c1ccc(C(=O)OOCCCCCC)cc1.
What is the InChIKey of hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate?
The InChIKey is LDYLVCBJEDUAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3Si/c1-5-9-10-11-16-21-22-19(20)17-12-14-18(15-13-17)23(6-2,7-3)8-4/h6-7,12-15H,2-3,5,8-11,16H2,1,4H3.
What are the key properties of hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate?
hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate has a molecular weight of 332.52 g/mol, XLogP of 4.48, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 4-[bis(ethenyl)-ethylsilyl]benzenecarboperoxoate is sourced from PubChem (CID 173267977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).