chromium;tris(3-[diethoxy(hydroxy)silyl]propan-1-amine)

C21H57CrN3O9Si3 — CID 164576382

IUPACchromium;tris(3-[diethoxy(hydroxy)silyl]propan-1-amine)
SMILESCCO[Si](O)(CCCN)OCC.CCO[Si](O)(CCCN)OCC.CCO[Si](O)(CCCN)OCC.[Cr]
InChIInChI=1S/3C7H19NO3Si.Cr/c3*1-3-10-12(9,11-4-2)7-5-6-8;/h3*9H,3-8H2,1-2H3;
InChIKeyMNIPXRMZNDLGTR-UHFFFAOYSA-N
MW631.95 g/mol
LogP1.02
Rot. Bonds21

About chromium;tris(3-[diethoxy(hydroxy)silyl]propan-1-amine)

chromium;tris(3-[diethoxy(hydroxy)silyl]propan-1-amine) (PubChem CID 164576382) has the molecular formula C21H57CrN3O9Si3 and a molecular weight of 631.95 g/mol. Its IUPAC name is chromium;tris(3-[diethoxy(hydroxy)silyl]propan-1-amine).

Molecular Properties

Compound Namechromium;tris(3-[diethoxy(hydroxy)silyl]propan-1-amine)
PubChem CID164576382
Molecular FormulaC21H57CrN3O9Si3
Molecular Weight631.95 g/mol
Exact Mass631.28
IUPAC Namechromium;tris(3-[diethoxy(hydroxy)silyl]propan-1-amine)
SMILESCCO[Si](O)(CCCN)OCC.CCO[Si](O)(CCCN)OCC.CCO[Si](O)(CCCN)OCC.[Cr]
InChIInChI=1S/3C7H19NO3Si.Cr/c3*1-3-10-12(9,11-4-2)7-5-6-8;/h3*9H,3-8H2,1-2H3;
InChIKeyMNIPXRMZNDLGTR-UHFFFAOYSA-N
XLogP1.02
TPSA194.13 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500631.95
LogP ≤ 51.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chromium;tris(3-[diethoxy(hydroxy)silyl]propan-1-amine)?
The IUPAC name of chromium;tris(3-[diethoxy(hydroxy)silyl]propan-1-amine) (CID 164576382) is chromium;tris(3-[diethoxy(hydroxy)silyl]propan-1-amine).
What is the SMILES notation for chromium;tris(3-[diethoxy(hydroxy)silyl]propan-1-amine)?
The canonical SMILES for chromium;tris(3-[diethoxy(hydroxy)silyl]propan-1-amine) is CCO[Si](O)(CCCN)OCC.CCO[Si](O)(CCCN)OCC.CCO[Si](O)(CCCN)OCC.[Cr].
What is the InChIKey of chromium;tris(3-[diethoxy(hydroxy)silyl]propan-1-amine)?
The InChIKey is MNIPXRMZNDLGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H19NO3Si.Cr/c3*1-3-10-12(9,11-4-2)7-5-6-8;/h3*9H,3-8H2,1-2H3;.
What are the key properties of chromium;tris(3-[diethoxy(hydroxy)silyl]propan-1-amine)?
chromium;tris(3-[diethoxy(hydroxy)silyl]propan-1-amine) has a molecular weight of 631.95 g/mol, XLogP of 1.02, 21 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;tris(3-[diethoxy(hydroxy)silyl]propan-1-amine) is sourced from PubChem (CID 164576382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).