[3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate

C36H54O8Si4 — CID 101347668

IUPAC[3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate
SMILESC[Si](C)(C)O[Si](C)(C)CCCOc1ccc(C(=O)Oc2cccc(OC(=O)c3ccc(OCCC[Si](C)(C)O[Si](C)(C)C)cc3)c2)cc1
InChIInChI=1S/C36H54O8Si4/c1-45(2,3)43-47(7,8)26-12-24-39-31-20-16-29(17-21-31)35(37)41-33-14-11-15-34(28-33)42-36(38)30-18-22-32(23-19-30)40-25-13-27-48(9,10)44-46(4,5)6/h11,14-23,28H,12-13,24-27H2,1-10H3
InChIKeyBOQHNDLHKTTWFB-UHFFFAOYSA-N
MW727.16 g/mol
LogP9.78
Rot. Bonds18

About [3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate

[3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate (PubChem CID 101347668) has the molecular formula C36H54O8Si4 and a molecular weight of 727.16 g/mol. Its IUPAC name is [3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate.

Molecular Properties

Compound Name[3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate
PubChem CID101347668
Molecular FormulaC36H54O8Si4
Molecular Weight727.16 g/mol
Exact Mass726.29
IUPAC Name[3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate
SMILESC[Si](C)(C)O[Si](C)(C)CCCOc1ccc(C(=O)Oc2cccc(OC(=O)c3ccc(OCCC[Si](C)(C)O[Si](C)(C)C)cc3)c2)cc1
InChIInChI=1S/C36H54O8Si4/c1-45(2,3)43-47(7,8)26-12-24-39-31-20-16-29(17-21-31)35(37)41-33-14-11-15-34(28-33)42-36(38)30-18-22-32(23-19-30)40-25-13-27-48(9,10)44-46(4,5)6/h11,14-23,28H,12-13,24-27H2,1-10H3
InChIKeyBOQHNDLHKTTWFB-UHFFFAOYSA-N
XLogP9.78
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.16
LogP ≤ 59.78
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': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-butoxyphenyl) 4-[6-[dimethyl(trimethylsilyloxy)silyl]hexoxy]benzoate
CID 19104486
[4-[4-[8-[dimethyl(trimethylsilyloxy)silyl]octoxy]benzoyl]oxy-3-methylphenyl] 4-[8-[dimethyl(trimethylsilyloxy)silyl]octoxy]benzoate
CID 100914819
(4-fluorophenyl) 4-[3-[[3-[4-(4-fluorophenoxy)carbonylphenoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]benzoate
CID 70364236
[4-[4-[5-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]pentoxy]benzoyl]oxy-3-methylphenyl] 4-[5-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]pentoxy]benzoate
CID 100914821
[4-[3-[4-(4-hexadecoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-dodecoxybenzoate
CID 102071974
[4-[3-[4-[4-[5-[4-[4-[3-[4-(4-octadecoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenoxy]carbonylphenoxy]pentoxy]benzoyl]oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-octadecoxybenzoate
CID 102574900
dimethyl-(3-phenoxypropyl)-trimethylsilyloxysilane
CID 19912171
[3-[4-(4-undecoxyphenyl)benzoyl]oxyphenyl] 4-(4-undecoxyphenyl)benzoate
CID 132510534
[3-(3-trimethoxysilylpropoxy)phenyl] benzoate
CID 20509689
[4-[3-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-ethoxybenzoate
CID 143295267
(3-methylphenyl) 4-butoxybenzoate
CID 23011521
[3-[4-(4-dodecoxybenzoyl)oxybenzoyl]oxyphenyl] 4-[(4-hexadecoxyphenyl)diazenyl]benzoate
CID 102582644

Frequently Asked Questions

What is the IUPAC name of [3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate?
The IUPAC name of [3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate (CID 101347668) is [3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate.
What is the SMILES notation for [3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate?
The canonical SMILES for [3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate is C[Si](C)(C)O[Si](C)(C)CCCOc1ccc(C(=O)Oc2cccc(OC(=O)c3ccc(OCCC[Si](C)(C)O[Si](C)(C)C)cc3)c2)cc1.
What is the InChIKey of [3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate?
The InChIKey is BOQHNDLHKTTWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H54O8Si4/c1-45(2,3)43-47(7,8)26-12-24-39-31-20-16-29(17-21-31)35(37)41-33-14-11-15-34(28-33)42-36(38)30-18-22-32(23-19-30)40-25-13-27-48(9,10)44-46(4,5)6/h11,14-23,28H,12-13,24-27H2,1-10H3.
What are the key properties of [3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate?
[3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate has a molecular weight of 727.16 g/mol, XLogP of 9.78, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoyl]oxyphenyl] 4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]benzoate is sourced from PubChem (CID 101347668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).