CID 173301024

C10H16Br2Si2Zr — CID 173301024

IUPAC—
SMILESBr.Br.[C-]1=CC=CC1.[C-]1=CC=CC1.[SiH2][SiH2].[Zr+2]
InChIInChI=1S/2C5H5.2BrH.H4Si2.Zr/c2*1-2-4-5-3-1;;;1-2;/h2*1-3H,4H2;2*1H;1-2H2;/q2*-1;;;;+2
InChIKeyKGNDFBCMYPJBDF-UHFFFAOYSA-N
MW443.44 g/mol
LogP1.93
Rot. Bonds

About CID 173301024

CID 173301024 (PubChem CID 173301024) has the molecular formula C10H16Br2Si2Zr and a molecular weight of 443.44 g/mol.

Molecular Properties

Compound NameCID 173301024
PubChem CID173301024
Molecular FormulaC10H16Br2Si2Zr
Molecular Weight443.44 g/mol
Exact Mass439.82
IUPAC Name—
SMILESBr.Br.[C-]1=CC=CC1.[C-]1=CC=CC1.[SiH2][SiH2].[Zr+2]
InChIInChI=1S/2C5H5.2BrH.H4Si2.Zr/c2*1-2-4-5-3-1;;;1-2;/h2*1-3H,4H2;2*1H;1-2H2;/q2*-1;;;;+2
InChIKeyKGNDFBCMYPJBDF-UHFFFAOYSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 51.93
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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cesium cyclopenta-1,3-diene
CID 18362255
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CID 73455747
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Frequently Asked Questions

What is the IUPAC name of CID 173301024?
The IUPAC name of CID 173301024 (CID 173301024) is not available.
What is the SMILES notation for CID 173301024?
The canonical SMILES for CID 173301024 is Br.Br.[C-]1=CC=CC1.[C-]1=CC=CC1.[SiH2][SiH2].[Zr+2].
What is the InChIKey of CID 173301024?
The InChIKey is KGNDFBCMYPJBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2BrH.H4Si2.Zr/c2*1-2-4-5-3-1;;;1-2;/h2*1-3H,4H2;2*1H;1-2H2;/q2*-1;;;;+2.
What are the key properties of CID 173301024?
CID 173301024 has a molecular weight of 443.44 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173301024 is sourced from PubChem (CID 173301024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).