2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid

C17H27NO7Si — CID 102404606

IUPAC2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid
SMILESCCO[Si](CCCNC(=O)c1cccc(O)c1C(=O)O)(OCC)OCC
InChIInChI=1S/C17H27NO7Si/c1-4-23-26(24-5-2,25-6-3)12-8-11-18-16(20)13-9-7-10-14(19)15(13)17(21)22/h7,9-10,19H,4-6,8,11-12H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyBIXNHMWQEUDXCZ-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.26
Rot. Bonds12

About 2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid

2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid (PubChem CID 102404606) has the molecular formula C17H27NO7Si and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid
PubChem CID102404606
Molecular FormulaC17H27NO7Si
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid
SMILESCCO[Si](CCCNC(=O)c1cccc(O)c1C(=O)O)(OCC)OCC
InChIInChI=1S/C17H27NO7Si/c1-4-23-26(24-5-2,25-6-3)12-8-11-18-16(20)13-9-7-10-14(19)15(13)17(21)22/h7,9-10,19H,4-6,8,11-12H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyBIXNHMWQEUDXCZ-UHFFFAOYSA-N
XLogP2.26
TPSA114.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[ethoxy(dimethoxy)silyl]propylcarbamoyl]benzoic acid
CID 174032259
4-[4-carboxy-3-(4-triethoxysilylbutylcarbamoyl)phenyl]-2-(4-triethoxysilylbutylcarbamoyl)benzoic acid
CID 158572965
2,5-bis[3-[diethoxy(methyl)silyl]propylcarbamoyl]terephthalic acid
CID 166567624
2-(3-triethoxysilylpropylsulfanylcarbonyl)benzoic acid
CID 87960766
2-N,9-N-bis(3-triethoxysilylpropyl)-1,10-phenanthroline-2,9-dicarboxamide
CID 177421665
1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea
CID 91387423
4-(3-triethoxysilylpropylcarbamoylamino)-N-[4-(3-triethoxysilylpropylcarbamoylamino)phenyl]benzamide
CID 155657712
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529
4-(3-triethoxysilylpropylcarbamoyloxymethyl)benzoic acid
CID 141473259
1-(2-phenylethyl)-3-(4-triethoxysilylbutyl)urea
CID 175303138
(4-benzoyl-2-hydroxyphenyl) N-(3-triethoxysilylpropyl)carbamate
CID 102284862
5-[(S)-[3-(dihydroxymethyl)-4-(3-triethoxysilylpropylcarbamoyl)phenyl]-hydroxymethyl]-2-[(S)-hydroxy-(3-triethoxysilylpropylamino)methyl]benzoic acid
CID 123489026

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid (CID 102404606) is 2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid is CCO[Si](CCCNC(=O)c1cccc(O)c1C(=O)O)(OCC)OCC.
What is the InChIKey of 2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid?
The InChIKey is BIXNHMWQEUDXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO7Si/c1-4-23-26(24-5-2,25-6-3)12-8-11-18-16(20)13-9-7-10-14(19)15(13)17(21)22/h7,9-10,19H,4-6,8,11-12H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid?
2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid has a molecular weight of 385.49 g/mol, XLogP of 2.26, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(3-triethoxysilylpropylcarbamoyl)benzoic acid is sourced from PubChem (CID 102404606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).