3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate

C20H39NO5Si3 — CID 70022386

IUPAC3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate
SMILESC[Si](C)(C)O[Si](C)(CCCOCCCOC(=O)c1ccc(N)cc1)O[Si](C)(C)C
InChIInChI=1S/C20H39NO5Si3/c1-27(2,3)25-29(7,26-28(4,5)6)17-9-15-23-14-8-16-24-20(22)18-10-12-19(21)13-11-18/h10-13H,8-9,14-17,21H2,1-7H3
InChIKeyWDROEKOODBRXCT-UHFFFAOYSA-N
MW457.79 g/mol
LogP5.00
Rot. Bonds13

About 3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate

3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate (PubChem CID 70022386) has the molecular formula C20H39NO5Si3 and a molecular weight of 457.79 g/mol. Its IUPAC name is 3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate.

Molecular Properties

Compound Name3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate
PubChem CID70022386
Molecular FormulaC20H39NO5Si3
Molecular Weight457.79 g/mol
Exact Mass457.21
IUPAC Name3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate
SMILESC[Si](C)(C)O[Si](C)(CCCOCCCOC(=O)c1ccc(N)cc1)O[Si](C)(C)C
InChIInChI=1S/C20H39NO5Si3/c1-27(2,3)25-29(7,26-28(4,5)6)17-9-15-23-14-8-16-24-20(22)18-10-12-19(21)13-11-18/h10-13H,8-9,14-17,21H2,1-7H3
InChIKeyWDROEKOODBRXCT-UHFFFAOYSA-N
XLogP5.00
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.79
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-trimethoxysilylpropyl 4-aminobenzoate
CID 142678171
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
bis(3-trimethylsilyloxypropyl) benzene-1,4-dicarboxylate
CID 11502797
azane;butyl 4-aminobenzoate
CID 175088613
bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate
CID 101081557
tetradecyl 4-aminobenzoate
CID 66970570
trimethylsilylmethyl 4-aminobenzoate
CID 13238788
[[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate
CID 3092383
3-[difluoro(methyl)silyl]propyl benzoate
CID 174136195
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl-methyl-bis(trimethylsilyloxy)silane
CID 59760729
ethyl 4-aminobenzoate
CID 2337

Frequently Asked Questions

What is the IUPAC name of 3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate?
The IUPAC name of 3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate (CID 70022386) is 3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate.
What is the SMILES notation for 3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate?
The canonical SMILES for 3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate is C[Si](C)(C)O[Si](C)(CCCOCCCOC(=O)c1ccc(N)cc1)O[Si](C)(C)C.
What is the InChIKey of 3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate?
The InChIKey is WDROEKOODBRXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO5Si3/c1-27(2,3)25-29(7,26-28(4,5)6)17-9-15-23-14-8-16-24-20(22)18-10-12-19(21)13-11-18/h10-13H,8-9,14-17,21H2,1-7H3.
What are the key properties of 3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate?
3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate has a molecular weight of 457.79 g/mol, XLogP of 5.00, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate is sourced from PubChem (CID 70022386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).