CID 159626377

C18H17Cl2HfSi — CID 159626377

IUPAC—
SMILES[Cl-].[Cl-].[Hf+4].[SiH3].[c-]1cccc2c1Cc1ccccc1-2.c1cc[cH-]c1
InChIInChI=1S/C13H9.C5H5.2ClH.Hf.H3Si/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;;/h1-5,7-8H,9H2;1-5H;2*1H;;1H3/q2*-1;;;+4;/p-2
InChIKeyNTADIDWIXPDJNY-UHFFFAOYSA-L
MW510.82 g/mol
LogP-2.71
Rot. Bonds

About CID 159626377

CID 159626377 (PubChem CID 159626377) has the molecular formula C18H17Cl2HfSi and a molecular weight of 510.82 g/mol.

Molecular Properties

Compound NameCID 159626377
PubChem CID159626377
Molecular FormulaC18H17Cl2HfSi
Molecular Weight510.82 g/mol
Exact Mass510.99
IUPAC Name—
SMILES[Cl-].[Cl-].[Hf+4].[SiH3].[c-]1cccc2c1Cc1ccccc1-2.c1cc[cH-]c1
InChIInChI=1S/C13H9.C5H5.2ClH.Hf.H3Si/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;;/h1-5,7-8H,9H2;1-5H;2*1H;;1H3/q2*-1;;;+4;/p-2
InChIKeyNTADIDWIXPDJNY-UHFFFAOYSA-L
XLogP-2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.82
LogP ≤ 5-2.71
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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Frequently Asked Questions

What is the IUPAC name of CID 159626377?
The IUPAC name of CID 159626377 (CID 159626377) is not available.
What is the SMILES notation for CID 159626377?
The canonical SMILES for CID 159626377 is [Cl-].[Cl-].[Hf+4].[SiH3].[c-]1cccc2c1Cc1ccccc1-2.c1cc[cH-]c1.
What is the InChIKey of CID 159626377?
The InChIKey is NTADIDWIXPDJNY-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C5H5.2ClH.Hf.H3Si/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;;/h1-5,7-8H,9H2;1-5H;2*1H;;1H3/q2*-1;;;+4;/p-2.
What are the key properties of CID 159626377?
CID 159626377 has a molecular weight of 510.82 g/mol, XLogP of -2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159626377 is sourced from PubChem (CID 159626377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).