CID 158156380

C21H21Cl2SiZr — CID 158156380

IUPAC—
SMILESCC=C[SiH2].[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C3H7Si.2ClH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-2-3-4;;;/h2*1-7H;2-3H,4H2,1H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyJSVAYRXUUQUPQA-UHFFFAOYSA-L
MW463.62 g/mol
LogP-0.72
Rot. Bonds

About CID 158156380

CID 158156380 (PubChem CID 158156380) has the molecular formula C21H21Cl2SiZr and a molecular weight of 463.62 g/mol.

Molecular Properties

Compound NameCID 158156380
PubChem CID158156380
Molecular FormulaC21H21Cl2SiZr
Molecular Weight463.62 g/mol
Exact Mass460.98
IUPAC Name—
SMILESCC=C[SiH2].[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C3H7Si.2ClH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-2-3-4;;;/h2*1-7H;2-3H,4H2,1H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyJSVAYRXUUQUPQA-UHFFFAOYSA-L
XLogP-0.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 5-0.72
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 158156380?
The IUPAC name of CID 158156380 (CID 158156380) is not available.
What is the SMILES notation for CID 158156380?
The canonical SMILES for CID 158156380 is CC=C[SiH2].[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 158156380?
The InChIKey is JSVAYRXUUQUPQA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7.C3H7Si.2ClH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-2-3-4;;;/h2*1-7H;2-3H,4H2,1H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 158156380?
CID 158156380 has a molecular weight of 463.62 g/mol, XLogP of -0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158156380 is sourced from PubChem (CID 158156380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).