CID 173188020

C15H32Cl2HfNSi-2 — CID 173188020

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.CCC(C)[NH-].C[SiH]C.Cl.Cl.[Hf]
InChIInChI=1S/C9H13.C4H10N.C2H7Si.2ClH.Hf/c1-6-5-7(2)9(4)8(6)3;1-3-4(2)5;1-3-2;;;/h6H,1-4H3;4-5H,3H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;
InChIKeyGGYGLLGDKMYVTF-UHFFFAOYSA-N
MW503.91 g/mol
LogP5.92
Rot. Bonds1

About CID 173188020

CID 173188020 (PubChem CID 173188020) has the molecular formula C15H32Cl2HfNSi-2 and a molecular weight of 503.91 g/mol.

Molecular Properties

Compound NameCID 173188020
PubChem CID173188020
Molecular FormulaC15H32Cl2HfNSi-2
Molecular Weight503.91 g/mol
Exact Mass504.12
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.CCC(C)[NH-].C[SiH]C.Cl.Cl.[Hf]
InChIInChI=1S/C9H13.C4H10N.C2H7Si.2ClH.Hf/c1-6-5-7(2)9(4)8(6)3;1-3-4(2)5;1-3-2;;;/h6H,1-4H3;4-5H,3H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;
InChIKeyGGYGLLGDKMYVTF-UHFFFAOYSA-N
XLogP5.92
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.91
LogP ≤ 55.92
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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Frequently Asked Questions

What is the IUPAC name of CID 173188020?
The IUPAC name of CID 173188020 (CID 173188020) is not available.
What is the SMILES notation for CID 173188020?
The canonical SMILES for CID 173188020 is CC1=[C-]C(C)C(C)=C1C.CCC(C)[NH-].C[SiH]C.Cl.Cl.[Hf].
What is the InChIKey of CID 173188020?
The InChIKey is GGYGLLGDKMYVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C4H10N.C2H7Si.2ClH.Hf/c1-6-5-7(2)9(4)8(6)3;1-3-4(2)5;1-3-2;;;/h6H,1-4H3;4-5H,3H2,1-2H3;3H,1-2H3;2*1H;/q2*-1;;;;.
What are the key properties of CID 173188020?
CID 173188020 has a molecular weight of 503.91 g/mol, XLogP of 5.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173188020 is sourced from PubChem (CID 173188020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).