CID 173008523

C24H28Cl2SiZr — CID 173008523

IUPAC—
SMILESCC(C)[Si]C(C)C.Cl[Zr+2]Cl.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C6H14Si.2ClH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-5(2)7-6(3)4;;;/h2*1-7H;5-6H,1-4H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyUIPCAIVJJYWMKY-UHFFFAOYSA-L
MW506.70 g/mol
LogP8.84
Rot. Bonds2

About CID 173008523

CID 173008523 (PubChem CID 173008523) has the molecular formula C24H28Cl2SiZr and a molecular weight of 506.70 g/mol.

Molecular Properties

Compound NameCID 173008523
PubChem CID173008523
Molecular FormulaC24H28Cl2SiZr
Molecular Weight506.70 g/mol
Exact Mass504.04
IUPAC Name—
SMILESCC(C)[Si]C(C)C.Cl[Zr+2]Cl.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C6H14Si.2ClH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-5(2)7-6(3)4;;;/h2*1-7H;5-6H,1-4H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyUIPCAIVJJYWMKY-UHFFFAOYSA-L
XLogP8.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.70
LogP ≤ 58.84
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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CID 173188423
CID 173188423

Frequently Asked Questions

What is the IUPAC name of CID 173008523?
The IUPAC name of CID 173008523 (CID 173008523) is not available.
What is the SMILES notation for CID 173008523?
The canonical SMILES for CID 173008523 is CC(C)[Si]C(C)C.Cl[Zr+2]Cl.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173008523?
The InChIKey is UIPCAIVJJYWMKY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7.C6H14Si.2ClH.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-5(2)7-6(3)4;;;/h2*1-7H;5-6H,1-4H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173008523?
CID 173008523 has a molecular weight of 506.70 g/mol, XLogP of 8.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173008523 is sourced from PubChem (CID 173008523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).