chromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate

C37H61CrN2O13Si2 — CID 158818578

IUPACchromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CCO[Si](C)(CCC/N=C/c1ccccc1O)OCC.CCO[Si](CCC/N=C/c1ccccc1O)(OCC)OCC.[Cr+3]
InChIInChI=1S/C16H27NO4Si.C15H25NO3Si.3C2H4O2.Cr/c1-4-19-22(20-5-2,21-6-3)13-9-12-17-14-15-10-7-8-11-16(15)18;1-4-18-20(3,19-5-2)12-8-11-16-13-14-9-6-7-10-15(14)17;3*1-2(3)4;/h7-8,10-11,14,18H,4-6,9,12-13H2,1-3H3;6-7,9-10,13,17H,4-5,8,11-12H2,1-3H3;3*1H3,(H,3,4);/q;;;;;+3/p-3/b17-14+;16-13+;;;;
InChIKeyVQYNZTXPXBDASY-JSSCHRKYSA-K
MW850.06 g/mol
LogP2.86
Rot. Bonds20

About chromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate

chromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate (PubChem CID 158818578) has the molecular formula C37H61CrN2O13Si2 and a molecular weight of 850.06 g/mol. Its IUPAC name is chromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate.

Molecular Properties

Compound Namechromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate
PubChem CID158818578
Molecular FormulaC37H61CrN2O13Si2
Molecular Weight850.06 g/mol
Exact Mass849.31
IUPAC Namechromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CCO[Si](C)(CCC/N=C/c1ccccc1O)OCC.CCO[Si](CCC/N=C/c1ccccc1O)(OCC)OCC.[Cr+3]
InChIInChI=1S/C16H27NO4Si.C15H25NO3Si.3C2H4O2.Cr/c1-4-19-22(20-5-2,21-6-3)13-9-12-17-14-15-10-7-8-11-16(15)18;1-4-18-20(3,19-5-2)12-8-11-16-13-14-9-6-7-10-15(14)17;3*1-2(3)4;/h7-8,10-11,14,18H,4-6,9,12-13H2,1-3H3;6-7,9-10,13,17H,4-5,8,11-12H2,1-3H3;3*1H3,(H,3,4);/q;;;;;+3/p-3/b17-14+;16-13+;;;;
InChIKeyVQYNZTXPXBDASY-JSSCHRKYSA-K
XLogP2.86
TPSA231.72 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.06
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol
CID 139211804
5-(3-triethoxysilylpropyliminomethyl)quinolin-8-ol
CID 136818505
trizinc;bis(2-[3-[(2-oxidophenyl)methylideneamino]propyliminomethyl]phenolate);diacetate
CID 139058151
N-[3-[diethoxy(methyl)silyl]propyl]-1-phenylmethanimine;N-methylmethanamine
CID 22491514
sodium 2-[(2-hydroxyphenyl)methylideneamino]acetate
CID 135760717
N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine
CID 22247245
2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate
CID 135501072
2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol
CID 136753245
oxovanadium;bis(2-(propyliminomethyl)phenol)
CID 5242411
4-(3-trimethoxysilylpropyliminomethyl)benzene-1,2,3-triol
CID 135927797
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481

Frequently Asked Questions

What is the IUPAC name of chromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate?
The IUPAC name of chromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate (CID 158818578) is chromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate.
What is the SMILES notation for chromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate?
The canonical SMILES for chromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CCO[Si](C)(CCC/N=C/c1ccccc1O)OCC.CCO[Si](CCC/N=C/c1ccccc1O)(OCC)OCC.[Cr+3].
What is the InChIKey of chromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate?
The InChIKey is VQYNZTXPXBDASY-JSSCHRKYSA-K. The full InChI is InChI=1S/C16H27NO4Si.C15H25NO3Si.3C2H4O2.Cr/c1-4-19-22(20-5-2,21-6-3)13-9-12-17-14-15-10-7-8-11-16(15)18;1-4-18-20(3,19-5-2)12-8-11-16-13-14-9-6-7-10-15(14)17;3*1-2(3)4;/h7-8,10-11,14,18H,4-6,9,12-13H2,1-3H3;6-7,9-10,13,17H,4-5,8,11-12H2,1-3H3;3*1H3,(H,3,4);/q;;;;;+3/p-3/b17-14+;16-13+;;;;.
What are the key properties of chromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate?
chromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate has a molecular weight of 850.06 g/mol, XLogP of 2.86, 20 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate is sourced from PubChem (CID 158818578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).