CID 173188042

C12H22Cl2HfNOSi — CID 173188042

IUPAC—
SMILESCC(C)(C)C([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C5H11NO.C5H5.C2H7Si.2ClH.Hf/c1-5(2,3)4(6)7;1-2-4-5-3-1;1-3-2;;;/h1-3H3,(H2,6,7);1-3H,4H2;3H,1-2H3;2*1H;/q;-1;;;;+4/p-3
InChIKeyQCZTXYDGSIUJIU-UHFFFAOYSA-K
MW473.80 g/mol
LogP-2.56
Rot. Bonds

About CID 173188042

CID 173188042 (PubChem CID 173188042) has the molecular formula C12H22Cl2HfNOSi and a molecular weight of 473.80 g/mol.

Molecular Properties

Compound NameCID 173188042
PubChem CID173188042
Molecular FormulaC12H22Cl2HfNOSi
Molecular Weight473.80 g/mol
Exact Mass474.03
IUPAC Name—
SMILESCC(C)(C)C([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C5H11NO.C5H5.C2H7Si.2ClH.Hf/c1-5(2,3)4(6)7;1-2-4-5-3-1;1-3-2;;;/h1-3H3,(H2,6,7);1-3H,4H2;3H,1-2H3;2*1H;/q;-1;;;;+4/p-3
InChIKeyQCZTXYDGSIUJIU-UHFFFAOYSA-K
XLogP-2.56
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.80
LogP ≤ 5-2.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173188042?
The IUPAC name of CID 173188042 (CID 173188042) is not available.
What is the SMILES notation for CID 173188042?
The canonical SMILES for CID 173188042 is CC(C)(C)C([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of CID 173188042?
The InChIKey is QCZTXYDGSIUJIU-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H11NO.C5H5.C2H7Si.2ClH.Hf/c1-5(2,3)4(6)7;1-2-4-5-3-1;1-3-2;;;/h1-3H3,(H2,6,7);1-3H,4H2;3H,1-2H3;2*1H;/q;-1;;;;+4/p-3.
What are the key properties of CID 173188042?
CID 173188042 has a molecular weight of 473.80 g/mol, XLogP of -2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173188042 is sourced from PubChem (CID 173188042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).