3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate

C55H78O8Si7 — CID 59593747

IUPAC3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)CCCO[Si](C)(O[Si](C)(C)c1ccc([Si](C)(C)O[Si](C)(O[Si](C)(C)c2ccc([Si](C)(C)O[Si](C)(CCCOC(=O)C(=C)C)c3ccccc3)cc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C55H78O8Si7/c1-45(2)54(56)33-25-43-59-69(14,52-29-21-17-22-30-52)61-65(7,8)48-38-40-50(41-39-48)67(11,12)63-70(15,53-31-23-18-24-32-53)62-66(9,10)49-36-34-47(35-37-49)64(5,6)60-68(13,51-27-19-16-20-28-51)44-26-42-58-55(57)46(3)4/h16-24,27-32,34-41H,1,3,25-26,33,42-44H2,2,4-15H3
InChIKeyNSJADPHMMOVOIM-UHFFFAOYSA-N
MW1063.82 g/mol
LogP8.99
Rot. Bonds26

About 3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate

3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate (PubChem CID 59593747) has the molecular formula C55H78O8Si7 and a molecular weight of 1063.82 g/mol. Its IUPAC name is 3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate
PubChem CID59593747
Molecular FormulaC55H78O8Si7
Molecular Weight1063.82 g/mol
Exact Mass1062.41
IUPAC Name3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)CCCO[Si](C)(O[Si](C)(C)c1ccc([Si](C)(C)O[Si](C)(O[Si](C)(C)c2ccc([Si](C)(C)O[Si](C)(CCCOC(=O)C(=C)C)c3ccccc3)cc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C55H78O8Si7/c1-45(2)54(56)33-25-43-59-69(14,52-29-21-17-22-30-52)61-65(7,8)48-38-40-50(41-39-48)67(11,12)63-70(15,53-31-23-18-24-32-53)62-66(9,10)49-36-34-47(35-37-49)64(5,6)60-68(13,51-27-19-16-20-28-51)44-26-42-58-55(57)46(3)4/h16-24,27-32,34-41H,1,3,25-26,33,42-44H2,2,4-15H3
InChIKeyNSJADPHMMOVOIM-UHFFFAOYSA-N
XLogP8.99
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.82
LogP ≤ 58.99
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate 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

3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate
CID 66674902
3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate
CID 66675453
3-[dibutoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012652
3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 54512859
3-[diethoxy(phenyl)silyl]propyl 2-methylprop-2-enoate
CID 19012650
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
3-[[2-[[[[(ethenyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-methyl-phenylsilyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 140810592
3-[hydroxy-methoxy-[methoxy(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 102349948
CID 157353725
CID 157353725
benzyl 2-methylidene-5-(2-methylprop-2-enoyloxy)pentanoate
CID 67462298
3-[diethoxy(phenoxy)silyl]propyl 2-methylprop-2-enoate
CID 139977935
4-[benzyl(dimethoxy)silyl]butyl 2-methylprop-2-enoate
CID 139977884

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate (CID 59593747) is 3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate is C=C(C)C(=O)CCCO[Si](C)(O[Si](C)(C)c1ccc([Si](C)(C)O[Si](C)(O[Si](C)(C)c2ccc([Si](C)(C)O[Si](C)(CCCOC(=O)C(=C)C)c3ccccc3)cc2)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate?
The InChIKey is NSJADPHMMOVOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H78O8Si7/c1-45(2)54(56)33-25-43-59-69(14,52-29-21-17-22-30-52)61-65(7,8)48-38-40-50(41-39-48)67(11,12)63-70(15,53-31-23-18-24-32-53)62-66(9,10)49-36-34-47(35-37-49)64(5,6)60-68(13,51-27-19-16-20-28-51)44-26-42-58-55(57)46(3)4/h16-24,27-32,34-41H,1,3,25-26,33,42-44H2,2,4-15H3.
What are the key properties of 3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate?
3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate has a molecular weight of 1063.82 g/mol, XLogP of 8.99, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-[[[[4-[dimethyl-[methyl-(5-methyl-4-oxohex-5-enoxy)-phenylsilyl]oxysilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]oxy-dimethylsilyl]phenyl]-dimethylsilyl]oxy-methyl-phenylsilyl]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 59593747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).