trimethoxysilylmethyl 4-aminobenzoate

C11H17NO5Si — CID 13238790

IUPACtrimethoxysilylmethyl 4-aminobenzoate
SMILESCO[Si](COC(=O)c1ccc(N)cc1)(OC)OC
InChIInChI=1S/C11H17NO5Si/c1-14-18(15-2,16-3)8-17-11(13)9-4-6-10(12)7-5-9/h4-7H,8,12H2,1-3H3
InChIKeyGGQWVIJKYPSHFA-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.84
Rot. Bonds6

About trimethoxysilylmethyl 4-aminobenzoate

trimethoxysilylmethyl 4-aminobenzoate (PubChem CID 13238790) has the molecular formula C11H17NO5Si and a molecular weight of 271.34 g/mol. Its IUPAC name is trimethoxysilylmethyl 4-aminobenzoate.

Molecular Properties

Compound Nametrimethoxysilylmethyl 4-aminobenzoate
PubChem CID13238790
Molecular FormulaC11H17NO5Si
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Nametrimethoxysilylmethyl 4-aminobenzoate
SMILESCO[Si](COC(=O)c1ccc(N)cc1)(OC)OC
InChIInChI=1S/C11H17NO5Si/c1-14-18(15-2,16-3)8-17-11(13)9-4-6-10(12)7-5-9/h4-7H,8,12H2,1-3H3
InChIKeyGGQWVIJKYPSHFA-UHFFFAOYSA-N
XLogP0.84
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilylmethyl 4-aminobenzoate
CID 13238788
3-trimethoxysilylpropyl 4-aminobenzoate
CID 142678171
[[(4-aminobenzoyl)oxymethyl-dimethylsilyl]oxy-dimethylsilyl]methyl 4-aminobenzoate
CID 3092383
methoxymethyl 4-aminobenzoate
CID 65364414
ethyl 4-aminobenzoate
CID 2337
butane;ethyl 4-aminobenzoate
CID 67389405
2-methylpropyl 4-aminobenzoate
CID 23616374
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
methyl 4-[(4-aminophenyl)methyl]benzoate
CID 68972848
3-(4-aminobenzoyl)oxybutyl 4-aminobenzoate
CID 13188750
ethane;(2-hydroxy-3-methoxypropyl) 4-aminobenzoate
CID 168916460

Frequently Asked Questions

What is the IUPAC name of trimethoxysilylmethyl 4-aminobenzoate?
The IUPAC name of trimethoxysilylmethyl 4-aminobenzoate (CID 13238790) is trimethoxysilylmethyl 4-aminobenzoate.
What is the SMILES notation for trimethoxysilylmethyl 4-aminobenzoate?
The canonical SMILES for trimethoxysilylmethyl 4-aminobenzoate is CO[Si](COC(=O)c1ccc(N)cc1)(OC)OC.
What is the InChIKey of trimethoxysilylmethyl 4-aminobenzoate?
The InChIKey is GGQWVIJKYPSHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5Si/c1-14-18(15-2,16-3)8-17-11(13)9-4-6-10(12)7-5-9/h4-7H,8,12H2,1-3H3.
What are the key properties of trimethoxysilylmethyl 4-aminobenzoate?
trimethoxysilylmethyl 4-aminobenzoate has a molecular weight of 271.34 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxysilylmethyl 4-aminobenzoate is sourced from PubChem (CID 13238790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).