CID 172747383

C22H30Cl2Si2Zr — CID 172747383

IUPAC—
SMILESC[SiH]C.C[SiH]C.Cl.Cl.[Zr+2].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.2C2H7Si.2ClH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-3-2;;;/h2*1-7H;2*3H,1-2H3;2*1H;/q2*-1;;;;;+2
InChIKeyIHTZZLMRQIHCAY-UHFFFAOYSA-N
MW512.78 g/mol
LogP7.00
Rot. Bonds

About CID 172747383

CID 172747383 (PubChem CID 172747383) has the molecular formula C22H30Cl2Si2Zr and a molecular weight of 512.78 g/mol.

Molecular Properties

Compound NameCID 172747383
PubChem CID172747383
Molecular FormulaC22H30Cl2Si2Zr
Molecular Weight512.78 g/mol
Exact Mass510.03
IUPAC Name—
SMILESC[SiH]C.C[SiH]C.Cl.Cl.[Zr+2].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.2C2H7Si.2ClH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-3-2;;;/h2*1-7H;2*3H,1-2H3;2*1H;/q2*-1;;;;;+2
InChIKeyIHTZZLMRQIHCAY-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.78
LogP ≤ 57.00
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 172747383?
The IUPAC name of CID 172747383 (CID 172747383) is not available.
What is the SMILES notation for CID 172747383?
The canonical SMILES for CID 172747383 is C[SiH]C.C[SiH]C.Cl.Cl.[Zr+2].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 172747383?
The InChIKey is IHTZZLMRQIHCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.2C2H7Si.2ClH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-3-2;;;/h2*1-7H;2*3H,1-2H3;2*1H;/q2*-1;;;;;+2.
What are the key properties of CID 172747383?
CID 172747383 has a molecular weight of 512.78 g/mol, XLogP of 7.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172747383 is sourced from PubChem (CID 172747383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).