CID 90234884

C30H40Cl2SiZr-4 — CID 90234884

IUPAC—
SMILESCC(C)(C)c1cccc(-c2c[cH-]c3ccccc23)c1.CC1=[C-]C(C)C(C)=C1C.Cl.Cl.[CH3-].[CH3-].[Si]=[Zr]
InChIInChI=1S/C19H19.C9H13.2CH3.2ClH.Si.Zr/c1-19(2,3)16-9-6-8-15(13-16)18-12-11-14-7-4-5-10-17(14)18;1-6-5-7(2)9(4)8(6)3;;;;;;/h4-13H,1-3H3;6H,1-4H3;2*1H3;2*1H;;/q4*-1;;;;
InChIKeyMNFYSTKDEXEZPX-UHFFFAOYSA-N
MW590.87 g/mol
LogP9.61
Rot. Bonds1

About CID 90234884

CID 90234884 (PubChem CID 90234884) has the molecular formula C30H40Cl2SiZr-4 and a molecular weight of 590.87 g/mol.

Molecular Properties

Compound NameCID 90234884
PubChem CID90234884
Molecular FormulaC30H40Cl2SiZr-4
Molecular Weight590.87 g/mol
Exact Mass588.13
IUPAC Name—
SMILESCC(C)(C)c1cccc(-c2c[cH-]c3ccccc23)c1.CC1=[C-]C(C)C(C)=C1C.Cl.Cl.[CH3-].[CH3-].[Si]=[Zr]
InChIInChI=1S/C19H19.C9H13.2CH3.2ClH.Si.Zr/c1-19(2,3)16-9-6-8-15(13-16)18-12-11-14-7-4-5-10-17(14)18;1-6-5-7(2)9(4)8(6)3;;;;;;/h4-13H,1-3H3;6H,1-4H3;2*1H3;2*1H;;/q4*-1;;;;
InChIKeyMNFYSTKDEXEZPX-UHFFFAOYSA-N
XLogP9.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.87
LogP ≤ 59.61
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 140645375
CID 140645375
CID 90234571
CID 90234571
Dimethylsilylene(2,3,4,5-tetramethyl-1-cyclopentadienyl)(3-(4-t-butylphenyl)-1-indenyl)zirconium dichloride
CID 86724413
CID 140645368
CID 140645368
CID 140645388
CID 140645388
CID 90235034
CID 90235034
CID 90233742
CID 90233742
CID 140645326
CID 140645326
3-(4-tert-butylphenyl)-1H-inden-1-ide;dimethylsilylidenezirconium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride
CID 90234101
CID 140645408
CID 140645408
CID 90234287
CID 90234287
dimethylsilylidenezirconium(2+);3-phenyl-1H-inden-1-ide;1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
CID 90238526

Frequently Asked Questions

What is the IUPAC name of CID 90234884?
The IUPAC name of CID 90234884 (CID 90234884) is not available.
What is the SMILES notation for CID 90234884?
The canonical SMILES for CID 90234884 is CC(C)(C)c1cccc(-c2c[cH-]c3ccccc23)c1.CC1=[C-]C(C)C(C)=C1C.Cl.Cl.[CH3-].[CH3-].[Si]=[Zr].
What is the InChIKey of CID 90234884?
The InChIKey is MNFYSTKDEXEZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19.C9H13.2CH3.2ClH.Si.Zr/c1-19(2,3)16-9-6-8-15(13-16)18-12-11-14-7-4-5-10-17(14)18;1-6-5-7(2)9(4)8(6)3;;;;;;/h4-13H,1-3H3;6H,1-4H3;2*1H3;2*1H;;/q4*-1;;;;.
What are the key properties of CID 90234884?
CID 90234884 has a molecular weight of 590.87 g/mol, XLogP of 9.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90234884 is sourced from PubChem (CID 90234884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).