CID 173338511

C14H18Br2SiZr — CID 173338511

IUPAC—
SMILESCC1=[C-]CC=C1C.[Br-].[Br-].[SiH2]Cc1ccccc1.[Zr+3]
InChIInChI=1S/C7H9Si.C7H9.2BrH.Zr/c8-6-7-4-2-1-3-5-7;1-6-4-3-5-7(6)2;;;/h1-5H,6,8H2;4H,3H2,1-2H3;2*1H;/q;-1;;;+3/p-2
InChIKeyJLGFTMVSZLWGSE-UHFFFAOYSA-L
MW465.42 g/mol
LogP-3.09
Rot. Bonds1

About CID 173338511

CID 173338511 (PubChem CID 173338511) has the molecular formula C14H18Br2SiZr and a molecular weight of 465.42 g/mol.

Molecular Properties

Compound NameCID 173338511
PubChem CID173338511
Molecular FormulaC14H18Br2SiZr
Molecular Weight465.42 g/mol
Exact Mass461.86
IUPAC Name—
SMILESCC1=[C-]CC=C1C.[Br-].[Br-].[SiH2]Cc1ccccc1.[Zr+3]
InChIInChI=1S/C7H9Si.C7H9.2BrH.Zr/c8-6-7-4-2-1-3-5-7;1-6-4-3-5-7(6)2;;;/h1-5H,6,8H2;4H,3H2,1-2H3;2*1H;/q;-1;;;+3/p-2
InChIKeyJLGFTMVSZLWGSE-UHFFFAOYSA-L
XLogP-3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.42
LogP ≤ 5-3.09
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 173338511?
The IUPAC name of CID 173338511 (CID 173338511) is not available.
What is the SMILES notation for CID 173338511?
The canonical SMILES for CID 173338511 is CC1=[C-]CC=C1C.[Br-].[Br-].[SiH2]Cc1ccccc1.[Zr+3].
What is the InChIKey of CID 173338511?
The InChIKey is JLGFTMVSZLWGSE-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H9Si.C7H9.2BrH.Zr/c8-6-7-4-2-1-3-5-7;1-6-4-3-5-7(6)2;;;/h1-5H,6,8H2;4H,3H2,1-2H3;2*1H;/q;-1;;;+3/p-2.
What are the key properties of CID 173338511?
CID 173338511 has a molecular weight of 465.42 g/mol, XLogP of -3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173338511 is sourced from PubChem (CID 173338511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).