CID 173137450

C15H33Cl2HfNSi-3 — CID 173137450

IUPAC—
SMILESCC(C)(C)[NH-].C[C-](C)C.C[SiH]C.Cl.Cl.[C-]1=CC=CC1.[Hf]
InChIInChI=1S/C5H5.C4H10N.C4H9.C2H7Si.2ClH.Hf/c1-2-4-5-3-1;1-4(2,3)5;1-4(2)3;1-3-2;;;/h1-3H,4H2;5H,1-3H3;1-3H3;3H,1-2H3;2*1H;/q3*-1;;;;
InChIKeyOHCIUEDBGXCYAE-UHFFFAOYSA-N
MW504.92 g/mol
LogP6.12
Rot. Bonds

About CID 173137450

CID 173137450 (PubChem CID 173137450) has the molecular formula C15H33Cl2HfNSi-3 and a molecular weight of 504.92 g/mol.

Molecular Properties

Compound NameCID 173137450
PubChem CID173137450
Molecular FormulaC15H33Cl2HfNSi-3
Molecular Weight504.92 g/mol
Exact Mass505.12
IUPAC Name—
SMILESCC(C)(C)[NH-].C[C-](C)C.C[SiH]C.Cl.Cl.[C-]1=CC=CC1.[Hf]
InChIInChI=1S/C5H5.C4H10N.C4H9.C2H7Si.2ClH.Hf/c1-2-4-5-3-1;1-4(2,3)5;1-4(2)3;1-3-2;;;/h1-3H,4H2;5H,1-3H3;1-3H3;3H,1-2H3;2*1H;/q3*-1;;;;
InChIKeyOHCIUEDBGXCYAE-UHFFFAOYSA-N
XLogP6.12
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.92
LogP ≤ 56.12
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

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CID 173137615
CID 173137615
tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium;dihydrochloride
CID 175060057
CID 173172683
CID 173172683
tert-butylazanide;carbanide;cyclopenta-1,3-diene;titanium(4+)
CID 175042620
cyclopenta-1,3-diene;2-methylpropane;platinum(2+)
CID 18961426
cyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride
CID 175602961
bis(cyclopenta-1,3-diene);hafnium;hydrochloride
CID 87593145
CID 173187831
CID 173187831
CID 173302274
CID 173302274
CID 173229489
CID 173229489
bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride
CID 87245014

Frequently Asked Questions

What is the IUPAC name of CID 173137450?
The IUPAC name of CID 173137450 (CID 173137450) is not available.
What is the SMILES notation for CID 173137450?
The canonical SMILES for CID 173137450 is CC(C)(C)[NH-].C[C-](C)C.C[SiH]C.Cl.Cl.[C-]1=CC=CC1.[Hf].
What is the InChIKey of CID 173137450?
The InChIKey is OHCIUEDBGXCYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C4H10N.C4H9.C2H7Si.2ClH.Hf/c1-2-4-5-3-1;1-4(2,3)5;1-4(2)3;1-3-2;;;/h1-3H,4H2;5H,1-3H3;1-3H3;3H,1-2H3;2*1H;/q3*-1;;;;.
What are the key properties of CID 173137450?
CID 173137450 has a molecular weight of 504.92 g/mol, XLogP of 6.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173137450 is sourced from PubChem (CID 173137450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).