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'}

Analyze 4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).