11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate

C64H102O10Si4 — CID 20733997

IUPAC11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate
SMILESC=CC(=O)OCCCC[Si](C)(C)O[Si](C)(C)CCCCCCCCCCCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)OCCCCCCCCCCC[Si](C)(C)O[Si](C)(C)CCCCOC(=O)C=C)cc3)cc2)cc1
InChIInChI=1S/C64H102O10Si4/c1-11-61(65)69-47-29-33-53-77(7,8)73-75(3,4)51-31-25-21-17-13-15-19-23-27-49-71-63(67)59-43-39-57(40-44-59)55-35-37-56(38-36-55)58-41-45-60(46-42-58)64(68)72-50-28-24-20-16-14-18-22-26-32-52-76(5,6)74-78(9,10)54-34-30-48-70-62(66)12-2/h11-12,35-46H,1-2,13-34,47-54H2,3-10H3
InChIKeyVWKZGDQQESDHCD-UHFFFAOYSA-N
MW1143.85 g/mol
LogP18.23
Rot. Bonds44

About 11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate

11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate (PubChem CID 20733997) has the molecular formula C64H102O10Si4 and a molecular weight of 1143.85 g/mol. Its IUPAC name is 11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate.

Molecular Properties

Compound Name11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate
PubChem CID20733997
Molecular FormulaC64H102O10Si4
Molecular Weight1143.85 g/mol
Exact Mass1142.66
IUPAC Name11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate
SMILESC=CC(=O)OCCCC[Si](C)(C)O[Si](C)(C)CCCCCCCCCCCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)OCCCCCCCCCCC[Si](C)(C)O[Si](C)(C)CCCCOC(=O)C=C)cc3)cc2)cc1
InChIInChI=1S/C64H102O10Si4/c1-11-61(65)69-47-29-33-53-77(7,8)73-75(3,4)51-31-25-21-17-13-15-19-23-27-49-71-63(67)59-43-39-57(40-44-59)55-35-37-56(38-36-55)58-41-45-60(46-42-58)64(68)72-50-28-24-20-16-14-18-22-26-32-52-76(5,6)74-78(9,10)54-34-30-48-70-62(66)12-2/h11-12,35-46H,1-2,13-34,47-54H2,3-10H3
InChIKeyVWKZGDQQESDHCD-UHFFFAOYSA-N
XLogP18.23
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds44
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001143.85
LogP ≤ 518.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate with MolForge

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Related Compounds

11-[4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]phenyl]phenyl]phenoxy]undecyl prop-2-enoate
CID 20734011
[4-(4-cyanophenyl)phenyl] 4-[5-[[dimethyl(3-prop-2-enoyloxypropyl)silyl]oxy-dimethylsilyl]pentoxy]benzoate
CID 100958797
1-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[1-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate
CID 142648621
6-[[[dimethyl(6-prop-2-enoyloxyhexyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]hexyl prop-2-enoate
CID 89309257
4-[[4-[2,5-bis[[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy]benzoyl]oxybutyl-dimethylsilyl]oxy-dimethylsilyl]butyl 2,5-bis[[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxy]benzoate
CID 22706749
pentyl 2,5-bis[[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxy]benzoyl]oxy]benzoate
CID 20734021
8-[methoxy(dimethyl)silyl]octyl prop-2-enoate
CID 140662219
[4-[4-[4-(4-prop-2-enoyloxybutoxycarbonyl)phenoxy]carbonylphenyl]phenyl] 3-methoxy-4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 59090125
methyl 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 58785395
6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate
CID 20588637
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 118547337
hexadecyl 4-(4-hexadecoxycarbonylphenyl)benzoate
CID 3498087

Frequently Asked Questions

What is the IUPAC name of 11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate?
The IUPAC name of 11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate (CID 20733997) is 11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate.
What is the SMILES notation for 11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate?
The canonical SMILES for 11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate is C=CC(=O)OCCCC[Si](C)(C)O[Si](C)(C)CCCCCCCCCCCOC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)OCCCCCCCCCCC[Si](C)(C)O[Si](C)(C)CCCCOC(=O)C=C)cc3)cc2)cc1.
What is the InChIKey of 11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate?
The InChIKey is VWKZGDQQESDHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H102O10Si4/c1-11-61(65)69-47-29-33-53-77(7,8)73-75(3,4)51-31-25-21-17-13-15-19-23-27-49-71-63(67)59-43-39-57(40-44-59)55-35-37-56(38-36-55)58-41-45-60(46-42-58)64(68)72-50-28-24-20-16-14-18-22-26-32-52-76(5,6)74-78(9,10)54-34-30-48-70-62(66)12-2/h11-12,35-46H,1-2,13-34,47-54H2,3-10H3.
What are the key properties of 11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate?
11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate has a molecular weight of 1143.85 g/mol, XLogP of 18.23, 44 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecyl 4-[4-[4-[11-[[dimethyl(4-prop-2-enoyloxybutyl)silyl]oxy-dimethylsilyl]undecoxycarbonyl]phenyl]phenyl]benzoate is sourced from PubChem (CID 20733997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).