3-trimethoxysilylpropyl 4-aminobenzoate

C13H21NO5Si — CID 142678171

IUPAC3-trimethoxysilylpropyl 4-aminobenzoate
SMILESCO[Si](CCCOC(=O)c1ccc(N)cc1)(OC)OC
InChIInChI=1S/C13H21NO5Si/c1-16-20(17-2,18-3)10-4-9-19-13(15)11-5-7-12(14)8-6-11/h5-8H,4,9-10,14H2,1-3H3
InChIKeyCYGOKIMNNZBNEZ-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.69
Rot. Bonds8

About 3-trimethoxysilylpropyl 4-aminobenzoate

3-trimethoxysilylpropyl 4-aminobenzoate (PubChem CID 142678171) has the molecular formula C13H21NO5Si and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-trimethoxysilylpropyl 4-aminobenzoate.

Molecular Properties

Compound Name3-trimethoxysilylpropyl 4-aminobenzoate
PubChem CID142678171
Molecular FormulaC13H21NO5Si
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name3-trimethoxysilylpropyl 4-aminobenzoate
SMILESCO[Si](CCCOC(=O)c1ccc(N)cc1)(OC)OC
InChIInChI=1S/C13H21NO5Si/c1-16-20(17-2,18-3)10-4-9-19-13(15)11-5-7-12(14)8-6-11/h5-8H,4,9-10,14H2,1-3H3
InChIKeyCYGOKIMNNZBNEZ-UHFFFAOYSA-N
XLogP1.69
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.69
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'}

Analyze 3-trimethoxysilylpropyl 4-aminobenzoate 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

trimethoxysilylmethyl 4-aminobenzoate
CID 13238790
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
azane;butyl 4-aminobenzoate
CID 175088613
3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propyl 4-aminobenzoate
CID 70022386
tetradecyl 4-aminobenzoate
CID 66970570
bis[3-[dichloro(methyl)silyl]propyl] benzene-1,4-dicarboxylate
CID 101081557
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
2-[2-sulfo-4-(3-trimethoxysilylpropoxycarbonyl)phenoxy]-5-(3-trimethoxysilylpropoxycarbonyl)benzenesulfonic acid
CID 140700196
3-triethoxysilylpropyl 4-iodobenzoate
CID 153491390
8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
CID 22375919
dioxosilane;methyl 4-(3-trimethoxysilylpropoxy)benzoate
CID 157094807
trimethylsilylmethyl 4-aminobenzoate
CID 13238788

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropyl 4-aminobenzoate?
The IUPAC name of 3-trimethoxysilylpropyl 4-aminobenzoate (CID 142678171) is 3-trimethoxysilylpropyl 4-aminobenzoate.
What is the SMILES notation for 3-trimethoxysilylpropyl 4-aminobenzoate?
The canonical SMILES for 3-trimethoxysilylpropyl 4-aminobenzoate is CO[Si](CCCOC(=O)c1ccc(N)cc1)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropyl 4-aminobenzoate?
The InChIKey is CYGOKIMNNZBNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5Si/c1-16-20(17-2,18-3)10-4-9-19-13(15)11-5-7-12(14)8-6-11/h5-8H,4,9-10,14H2,1-3H3.
What are the key properties of 3-trimethoxysilylpropyl 4-aminobenzoate?
3-trimethoxysilylpropyl 4-aminobenzoate has a molecular weight of 299.40 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropyl 4-aminobenzoate is sourced from PubChem (CID 142678171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).