CID 173258411

C13H28NSiZr — CID 173258411

IUPAC—
SMILESCC(C)(C)[NH-].C[SiH]C.[C-]1=CC=CC1.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C5H5.C4H10N.C2H7Si.2CH3.Zr/c1-2-4-5-3-1;1-4(2,3)5;1-3-2;;;/h1-3H,4H2;5H,1-3H3;3H,1-2H3;2*1H3;/q2*-1;;2*-1;+4
InChIKeyIFZBTDIAUJMJIA-UHFFFAOYSA-N
MW317.68 g/mol
LogP4.56
Rot. Bonds

About CID 173258411

CID 173258411 (PubChem CID 173258411) has the molecular formula C13H28NSiZr and a molecular weight of 317.68 g/mol.

Molecular Properties

Compound NameCID 173258411
PubChem CID173258411
Molecular FormulaC13H28NSiZr
Molecular Weight317.68 g/mol
Exact Mass316.10
IUPAC Name—
SMILESCC(C)(C)[NH-].C[SiH]C.[C-]1=CC=CC1.[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/C5H5.C4H10N.C2H7Si.2CH3.Zr/c1-2-4-5-3-1;1-4(2,3)5;1-3-2;;;/h1-3H,4H2;5H,1-3H3;3H,1-2H3;2*1H3;/q2*-1;;2*-1;+4
InChIKeyIFZBTDIAUJMJIA-UHFFFAOYSA-N
XLogP4.56
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.68
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium(4+)
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tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium;dihydrochloride
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CID 173137450
CID 173137450
CID 173172683
CID 173172683
CID 173137615
CID 173137615
carbanide;chloromethane;cyclopenta-1,3-diene;titanium(2+)
CID 19077938
carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 174257873
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
CID 173187831
CID 173187831
CID 173229489
CID 173229489
carbanide;cyclopenta-1,3-diene;tris(2-methylpropan-2-ol);titanium
CID 173208512
CID 173302274
CID 173302274

Frequently Asked Questions

What is the IUPAC name of CID 173258411?
The IUPAC name of CID 173258411 (CID 173258411) is not available.
What is the SMILES notation for CID 173258411?
The canonical SMILES for CID 173258411 is CC(C)(C)[NH-].C[SiH]C.[C-]1=CC=CC1.[CH3-].[CH3-].[Zr+4].
What is the InChIKey of CID 173258411?
The InChIKey is IFZBTDIAUJMJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4H10N.C2H7Si.2CH3.Zr/c1-2-4-5-3-1;1-4(2,3)5;1-3-2;;;/h1-3H,4H2;5H,1-3H3;3H,1-2H3;2*1H3;/q2*-1;;2*-1;+4.
What are the key properties of CID 173258411?
CID 173258411 has a molecular weight of 317.68 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173258411 is sourced from PubChem (CID 173258411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).