CID 173061024

C25H30Cl2SiZr — CID 173061024

IUPAC—
SMILESCC1C=C(C(C)(C)C)C=C1c1[c-]c2c(cc1)-c1ccccc1C2.C[SiH]C.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C23H23.C2H7Si.2ClH.Zr/c1-15-11-19(23(2,3)4)14-22(15)17-9-10-21-18(13-17)12-16-7-5-6-8-20(16)21;1-3-2;;;/h5-11,14-15H,12H2,1-4H3;3H,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyVIBFLHNCRRYRPC-UHFFFAOYSA-L
MW520.73 g/mol
LogP0.59
Rot. Bonds1

About CID 173061024

CID 173061024 (PubChem CID 173061024) has the molecular formula C25H30Cl2SiZr and a molecular weight of 520.73 g/mol.

Molecular Properties

Compound NameCID 173061024
PubChem CID173061024
Molecular FormulaC25H30Cl2SiZr
Molecular Weight520.73 g/mol
Exact Mass518.05
IUPAC Name—
SMILESCC1C=C(C(C)(C)C)C=C1c1[c-]c2c(cc1)-c1ccccc1C2.C[SiH]C.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C23H23.C2H7Si.2ClH.Zr/c1-15-11-19(23(2,3)4)14-22(15)17-9-10-21-18(13-17)12-16-7-5-6-8-20(16)21;1-3-2;;;/h5-11,14-15H,12H2,1-4H3;3H,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyVIBFLHNCRRYRPC-UHFFFAOYSA-L
XLogP0.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.73
LogP ≤ 50.59
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 173061024?
The IUPAC name of CID 173061024 (CID 173061024) is not available.
What is the SMILES notation for CID 173061024?
The canonical SMILES for CID 173061024 is CC1C=C(C(C)(C)C)C=C1c1[c-]c2c(cc1)-c1ccccc1C2.C[SiH]C.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of CID 173061024?
The InChIKey is VIBFLHNCRRYRPC-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H23.C2H7Si.2ClH.Zr/c1-15-11-19(23(2,3)4)14-22(15)17-9-10-21-18(13-17)12-16-7-5-6-8-20(16)21;1-3-2;;;/h5-11,14-15H,12H2,1-4H3;3H,1-2H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of CID 173061024?
CID 173061024 has a molecular weight of 520.73 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173061024 is sourced from PubChem (CID 173061024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).