CID 173187658

C11H20Cl2HfNOSi — CID 173187658

IUPAC—
SMILESCCCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C5H5.C4H9NO.C2H7Si.2ClH.Hf/c1-2-4-5-3-1;1-2-3-4(5)6;1-3-2;;;/h1-3H,4H2;2-3H2,1H3,(H2,5,6);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyDBQOYZNKWAHDOR-UHFFFAOYSA-K
MW459.77 g/mol
LogP-2.80
Rot. Bonds2

About CID 173187658

CID 173187658 (PubChem CID 173187658) has the molecular formula C11H20Cl2HfNOSi and a molecular weight of 459.77 g/mol.

Molecular Properties

Compound NameCID 173187658
PubChem CID173187658
Molecular FormulaC11H20Cl2HfNOSi
Molecular Weight459.77 g/mol
Exact Mass460.02
IUPAC Name—
SMILESCCCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/C5H5.C4H9NO.C2H7Si.2ClH.Hf/c1-2-4-5-3-1;1-2-3-4(5)6;1-3-2;;;/h1-3H,4H2;2-3H2,1H3,(H2,5,6);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyDBQOYZNKWAHDOR-UHFFFAOYSA-K
XLogP-2.80
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.77
LogP ≤ 5-2.80
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 173187658?
The IUPAC name of CID 173187658 (CID 173187658) is not available.
What is the SMILES notation for CID 173187658?
The canonical SMILES for CID 173187658 is CCCC([NH-])=O.C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of CID 173187658?
The InChIKey is DBQOYZNKWAHDOR-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H5.C4H9NO.C2H7Si.2ClH.Hf/c1-2-4-5-3-1;1-2-3-4(5)6;1-3-2;;;/h1-3H,4H2;2-3H2,1H3,(H2,5,6);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3.
What are the key properties of CID 173187658?
CID 173187658 has a molecular weight of 459.77 g/mol, XLogP of -2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173187658 is sourced from PubChem (CID 173187658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).