CID 161189718

C24H28F2SiZr — CID 161189718

IUPAC—
SMILESCC(C)(C)C1=CC(c2[c-]c3c(cc2)-c2ccccc2C3)C=C1.C[SiH]C.[F-].[F-].[Zr+3]
InChIInChI=1S/C22H21.C2H7Si.2FH.Zr/c1-22(2,3)19-10-8-16(14-19)15-9-11-21-18(12-15)13-17-6-4-5-7-20(17)21;1-3-2;;;/h4-11,14,16H,13H2,1-3H3;3H,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyVYUBWZRHFWDTOU-UHFFFAOYSA-L
MW473.79 g/mol
LogP0.21
Rot. Bonds1

About CID 161189718

CID 161189718 (PubChem CID 161189718) has the molecular formula C24H28F2SiZr and a molecular weight of 473.79 g/mol.

Molecular Properties

Compound NameCID 161189718
PubChem CID161189718
Molecular FormulaC24H28F2SiZr
Molecular Weight473.79 g/mol
Exact Mass472.10
IUPAC Name—
SMILESCC(C)(C)C1=CC(c2[c-]c3c(cc2)-c2ccccc2C3)C=C1.C[SiH]C.[F-].[F-].[Zr+3]
InChIInChI=1S/C22H21.C2H7Si.2FH.Zr/c1-22(2,3)19-10-8-16(14-19)15-9-11-21-18(12-15)13-17-6-4-5-7-20(17)21;1-3-2;;;/h4-11,14,16H,13H2,1-3H3;3H,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyVYUBWZRHFWDTOU-UHFFFAOYSA-L
XLogP0.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.79
LogP ≤ 50.21
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 161189718?
The IUPAC name of CID 161189718 (CID 161189718) is not available.
What is the SMILES notation for CID 161189718?
The canonical SMILES for CID 161189718 is CC(C)(C)C1=CC(c2[c-]c3c(cc2)-c2ccccc2C3)C=C1.C[SiH]C.[F-].[F-].[Zr+3].
What is the InChIKey of CID 161189718?
The InChIKey is VYUBWZRHFWDTOU-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H21.C2H7Si.2FH.Zr/c1-22(2,3)19-10-8-16(14-19)15-9-11-21-18(12-15)13-17-6-4-5-7-20(17)21;1-3-2;;;/h4-11,14,16H,13H2,1-3H3;3H,1-2H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of CID 161189718?
CID 161189718 has a molecular weight of 473.79 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161189718 is sourced from PubChem (CID 161189718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).