CID 140645368

C28H34SiZr-4 — CID 140645368

IUPAC—
SMILESCC1=[C-]C(C)C(C)=C1C.[CH2-]C.[CH2-]C.[Si]=[Zr].c1ccc(-c2c[cH-]c3ccccc23)cc1
InChIInChI=1S/C15H11.C9H13.2C2H5.Si.Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-6-5-7(2)9(4)8(6)3;2*1-2;;/h1-11H;6H,1-4H3;2*1H2,2H3;;/q4*-1;;
InChIKeySPLLBWRUUMVDDU-UHFFFAOYSA-N
MW489.89 g/mol
LogP8.25
Rot. Bonds1

About CID 140645368

CID 140645368 (PubChem CID 140645368) has the molecular formula C28H34SiZr-4 and a molecular weight of 489.89 g/mol.

Molecular Properties

Compound NameCID 140645368
PubChem CID140645368
Molecular FormulaC28H34SiZr-4
Molecular Weight489.89 g/mol
Exact Mass488.15
IUPAC Name—
SMILESCC1=[C-]C(C)C(C)=C1C.[CH2-]C.[CH2-]C.[Si]=[Zr].c1ccc(-c2c[cH-]c3ccccc23)cc1
InChIInChI=1S/C15H11.C9H13.2C2H5.Si.Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-6-5-7(2)9(4)8(6)3;2*1-2;;/h1-11H;6H,1-4H3;2*1H2,2H3;;/q4*-1;;
InChIKeySPLLBWRUUMVDDU-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.89
LogP ≤ 58.25
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

CID 90235034
CID 90235034
CID 140645357
CID 140645357
dimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
CID 90238526
CID 90234287
CID 90234287
Dimethylsilylene(2,3,4,5-tetramethyl-1-cyclopentadienyl)(3-(4-t-butylphenyl)-1-indenyl)zirconium dichloride
CID 86724413
CID 140645388
CID 140645388
CID 90234571
CID 90234571
CID 90234884
CID 90234884
CID 140645326
CID 140645326
CID 90233742
CID 90233742
3-phenyl-1H-inden-1-ide;silolan-1-ylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride
CID 90234921
CID 140645375
CID 140645375

Frequently Asked Questions

What is the IUPAC name of CID 140645368?
The IUPAC name of CID 140645368 (CID 140645368) is not available.
What is the SMILES notation for CID 140645368?
The canonical SMILES for CID 140645368 is CC1=[C-]C(C)C(C)=C1C.[CH2-]C.[CH2-]C.[Si]=[Zr].c1ccc(-c2c[cH-]c3ccccc23)cc1.
What is the InChIKey of CID 140645368?
The InChIKey is SPLLBWRUUMVDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11.C9H13.2C2H5.Si.Zr/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-6-5-7(2)9(4)8(6)3;2*1-2;;/h1-11H;6H,1-4H3;2*1H2,2H3;;/q4*-1;;.
What are the key properties of CID 140645368?
CID 140645368 has a molecular weight of 489.89 g/mol, XLogP of 8.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140645368 is sourced from PubChem (CID 140645368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).