4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol

C13H21NO6Si — CID 135927797

IUPAC4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol
SMILESCO[Si](CCC/N=C/c1ccc(O)c(O)c1O)(OC)OC
InChIInChI=1S/C13H21NO6Si/c1-18-21(19-2,20-3)8-4-7-14-9-10-5-6-11(15)13(17)12(10)16/h5-6,9,15-17H,4,7-8H2,1-3H3/b14-9+
InChIKeyRROLVPGVGDXCGB-NTEUORMPSA-N
MW315.40 g/mol
LogP1.49
Rot. Bonds8

About 4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol

4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol (PubChem CID 135927797) has the molecular formula C13H21NO6Si and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol.

Molecular Properties

Compound Name4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol
PubChem CID135927797
Molecular FormulaC13H21NO6Si
Molecular Weight315.40 g/mol
Exact Mass315.11
IUPAC Name4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol
SMILESCO[Si](CCC/N=C/c1ccc(O)c(O)c1O)(OC)OC
InChIInChI=1S/C13H21NO6Si/c1-18-21(19-2,20-3)8-4-7-14-9-10-5-6-11(15)13(17)12(10)16/h5-6,9,15-17H,4,7-8H2,1-3H3/b14-9+
InChIKeyRROLVPGVGDXCGB-NTEUORMPSA-N
XLogP1.49
TPSA100.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol
CID 136753245
2-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]butyliminomethyl]-6-methoxyphenol
CID 609617
5-(3-triethoxysilylpropyliminomethyl)quinolin-8-ol
CID 136818505
2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol
CID 136618032
2-[6-[(2-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-6-methoxyphenol
CID 136851289
2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol
CID 139211804
4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol
CID 171138438
1-[4-[3-[dimethoxy(methyl)silyl]propyliminomethyl]phenyl]-N-[3-[methoxy(dimethyl)silyl]propyl]methanimine;N-[3-[methoxy(dimethyl)silyl]propyl]-1-[4-(3-trimethoxysilylpropyliminomethyl)phenyl]methanimine
CID 157340168
2-(3-hydroxypropyliminomethyl)-6-methoxyphenol
CID 136727735
chromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate
CID 158818578
2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 135730678
2-(2-aminoethyliminomethyl)-6-methoxyphenol
CID 136729153

Frequently Asked Questions

What is the IUPAC name of 4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol?
The IUPAC name of 4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol (CID 135927797) is 4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol.
What is the SMILES notation for 4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol?
The canonical SMILES for 4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol is CO[Si](CCC/N=C/c1ccc(O)c(O)c1O)(OC)OC.
What is the InChIKey of 4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol?
The InChIKey is RROLVPGVGDXCGB-NTEUORMPSA-N. The full InChI is InChI=1S/C13H21NO6Si/c1-18-21(19-2,20-3)8-4-7-14-9-10-5-6-11(15)13(17)12(10)16/h5-6,9,15-17H,4,7-8H2,1-3H3/b14-9+.
What are the key properties of 4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol?
4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol has a molecular weight of 315.40 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol is sourced from PubChem (CID 135927797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).