4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol

C10H15NO5Si — CID 139211832

IUPAC4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol
SMILESOc1ccc(/C=N/CCC[Si](O)(O)O)cc1O
InChIInChI=1S/C10H15NO5Si/c12-9-3-2-8(6-10(9)13)7-11-4-1-5-17(14,15)16/h2-3,6-7,12-16H,1,4-5H2/b11-7+
InChIKeyCOYLWVBXPMRTIO-YRNVUSSQSA-N
MW257.32 g/mol
LogP-0.18
Rot. Bonds5

About 4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol

4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol (PubChem CID 139211832) has the molecular formula C10H15NO5Si and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol
PubChem CID139211832
Molecular FormulaC10H15NO5Si
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol
SMILESOc1ccc(/C=N/CCC[Si](O)(O)O)cc1O
InChIInChI=1S/C10H15NO5Si/c12-9-3-2-8(6-10(9)13)7-11-4-1-5-17(14,15)16/h2-3,6-7,12-16H,1,4-5H2/b11-7+
InChIKeyCOYLWVBXPMRTIO-YRNVUSSQSA-N
XLogP-0.18
TPSA113.51 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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

4-[6-[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexyliminomethyl]-2-methoxyphenol
CID 136828234
3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 91295364
N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine
CID 22247245
4-(pyrimidin-2-yliminomethyl)benzene-1,2-diol
CID 3473364
4-[(E)-methoxyiminomethyl]benzene-1,2-diol
CID 135443391
4-[(E)-(dimethylhydrazinylidene)methyl]benzene-1,2-diol
CID 136786732
4-[(E)-(methylhydrazinylidene)methyl]benzene-1,2-diol
CID 136786728
[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-trimethylazanium
CID 135485458
6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol
CID 59344390
4-[(E)-2-[4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]phenyl]ethenyl]benzene-1,2-diol
CID 71680339
4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol
CID 681130
1-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-ethylthiourea
CID 135730861

Frequently Asked Questions

What is the IUPAC name of 4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol?
The IUPAC name of 4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol (CID 139211832) is 4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol.
What is the SMILES notation for 4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol?
The canonical SMILES for 4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol is Oc1ccc(/C=N/CCC[Si](O)(O)O)cc1O.
What is the InChIKey of 4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol?
The InChIKey is COYLWVBXPMRTIO-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H15NO5Si/c12-9-3-2-8(6-10(9)13)7-11-4-1-5-17(14,15)16/h2-3,6-7,12-16H,1,4-5H2/b11-7+.
What are the key properties of 4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol?
4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol has a molecular weight of 257.32 g/mol, XLogP of -0.18, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-trihydroxysilylpropyliminomethyl)benzene-1,2-diol is sourced from PubChem (CID 139211832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).