CID 173223429

C24H24Cl2HfSi — CID 173223429

IUPAC—
SMILESC=CC[Si]CC=C.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C6H10Si.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-5-7-6-4-2;;;/h2*1-7H;3-4H,1-2,5-6H2;2*1H;/q2*-1;;;;+4/p-2
InChIKeyUCDWAHARLZLUTI-UHFFFAOYSA-L
MW589.94 g/mol
LogP1.02
Rot. Bonds4

About CID 173223429

CID 173223429 (PubChem CID 173223429) has the molecular formula C24H24Cl2HfSi and a molecular weight of 589.94 g/mol.

Molecular Properties

Compound NameCID 173223429
PubChem CID173223429
Molecular FormulaC24H24Cl2HfSi
Molecular Weight589.94 g/mol
Exact Mass590.05
IUPAC Name—
SMILESC=CC[Si]CC=C.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C6H10Si.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-5-7-6-4-2;;;/h2*1-7H;3-4H,1-2,5-6H2;2*1H;/q2*-1;;;;+4/p-2
InChIKeyUCDWAHARLZLUTI-UHFFFAOYSA-L
XLogP1.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.94
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173223429?
The IUPAC name of CID 173223429 (CID 173223429) is not available.
What is the SMILES notation for CID 173223429?
The canonical SMILES for CID 173223429 is C=CC[Si]CC=C.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173223429?
The InChIKey is UCDWAHARLZLUTI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7.C6H10Si.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;1-3-5-7-6-4-2;;;/h2*1-7H;3-4H,1-2,5-6H2;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173223429?
CID 173223429 has a molecular weight of 589.94 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173223429 is sourced from PubChem (CID 173223429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).