CID 159910475

C19H20Cl2SiZr — CID 159910475

IUPAC—
SMILESCC1=[C-]CC(C)=C1.[Cl-].[Cl-].[Zr+3].c1ccc([SiH]c2ccccc2)cc1
InChIInChI=1S/C12H11Si.C7H9.2ClH.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6-3-4-7(2)5-6;;;/h1-10,13H;5H,3H2,1-2H3;2*1H;/q;-1;;;+3/p-2
InChIKeyBEKIFUHREJLVBL-UHFFFAOYSA-L
MW438.59 g/mol
LogP-2.83
Rot. Bonds2

About CID 159910475

CID 159910475 (PubChem CID 159910475) has the molecular formula C19H20Cl2SiZr and a molecular weight of 438.59 g/mol.

Molecular Properties

Compound NameCID 159910475
PubChem CID159910475
Molecular FormulaC19H20Cl2SiZr
Molecular Weight438.59 g/mol
Exact Mass435.98
IUPAC Name—
SMILESCC1=[C-]CC(C)=C1.[Cl-].[Cl-].[Zr+3].c1ccc([SiH]c2ccccc2)cc1
InChIInChI=1S/C12H11Si.C7H9.2ClH.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6-3-4-7(2)5-6;;;/h1-10,13H;5H,3H2,1-2H3;2*1H;/q;-1;;;+3/p-2
InChIKeyBEKIFUHREJLVBL-UHFFFAOYSA-L
XLogP-2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 5-2.83
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 159910475?
The IUPAC name of CID 159910475 (CID 159910475) is not available.
What is the SMILES notation for CID 159910475?
The canonical SMILES for CID 159910475 is CC1=[C-]CC(C)=C1.[Cl-].[Cl-].[Zr+3].c1ccc([SiH]c2ccccc2)cc1.
What is the InChIKey of CID 159910475?
The InChIKey is BEKIFUHREJLVBL-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H11Si.C7H9.2ClH.Zr/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6-3-4-7(2)5-6;;;/h1-10,13H;5H,3H2,1-2H3;2*1H;/q;-1;;;+3/p-2.
What are the key properties of CID 159910475?
CID 159910475 has a molecular weight of 438.59 g/mol, XLogP of -2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159910475 is sourced from PubChem (CID 159910475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).