cyclopenta-1,3-diene;trimethyl-(3-methylborinin-2-yl)silane;zirconium(3+);dichloride

C14H20BCl2SiZr — CID 173179946

IUPACcyclopenta-1,3-diene;trimethyl-(3-methylborinin-2-yl)silane;zirconium(3+);dichloride
SMILESCc1cccbc1[Si](C)(C)C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C9H15BSi.C5H5.2ClH.Zr/c1-8-6-5-7-10-9(8)11(2,3)4;1-2-4-5-3-1;;;/h5-7H,1-4H3;1-3H,4H2;2*1H;/q;-1;;;+3/p-2
InChIKeyNWDLEHNLJOLARK-UHFFFAOYSA-L
MW389.34 g/mol
LogP-2.81
Rot. Bonds1

About cyclopenta-1,3-diene;trimethyl-(3-methylborinin-2-yl)silane;zirconium(3+);dichloride

cyclopenta-1,3-diene;trimethyl-(3-methylborinin-2-yl)silane;zirconium(3+);dichloride (PubChem CID 173179946) has the molecular formula C14H20BCl2SiZr and a molecular weight of 389.34 g/mol. Its IUPAC name is cyclopenta-1,3-diene;trimethyl-(3-methylborinin-2-yl)silane;zirconium(3+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;trimethyl-(3-methylborinin-2-yl)silane;zirconium(3+);dichloride
PubChem CID173179946
Molecular FormulaC14H20BCl2SiZr
Molecular Weight389.34 g/mol
Exact Mass386.99
IUPAC Namecyclopenta-1,3-diene;trimethyl-(3-methylborinin-2-yl)silane;zirconium(3+);dichloride
SMILESCc1cccbc1[Si](C)(C)C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C9H15BSi.C5H5.2ClH.Zr/c1-8-6-5-7-10-9(8)11(2,3)4;1-2-4-5-3-1;;;/h5-7H,1-4H3;1-3H,4H2;2*1H;/q;-1;;;+3/p-2
InChIKeyNWDLEHNLJOLARK-UHFFFAOYSA-L
XLogP-2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 5-2.81
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 cyclopenta-1,3-diene;trimethyl-(3-methylborinin-2-yl)silane;zirconium(3+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;trimethyl-(3-methylborinin-2-yl)silane;zirconium(3+);dichloride (CID 173179946) is cyclopenta-1,3-diene;trimethyl-(3-methylborinin-2-yl)silane;zirconium(3+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;trimethyl-(3-methylborinin-2-yl)silane;zirconium(3+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;trimethyl-(3-methylborinin-2-yl)silane;zirconium(3+);dichloride is Cc1cccbc1[Si](C)(C)C.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of cyclopenta-1,3-diene;trimethyl-(3-methylborinin-2-yl)silane;zirconium(3+);dichloride?
The InChIKey is NWDLEHNLJOLARK-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H15BSi.C5H5.2ClH.Zr/c1-8-6-5-7-10-9(8)11(2,3)4;1-2-4-5-3-1;;;/h5-7H,1-4H3;1-3H,4H2;2*1H;/q;-1;;;+3/p-2.
What are the key properties of cyclopenta-1,3-diene;trimethyl-(3-methylborinin-2-yl)silane;zirconium(3+);dichloride?
cyclopenta-1,3-diene;trimethyl-(3-methylborinin-2-yl)silane;zirconium(3+);dichloride has a molecular weight of 389.34 g/mol, XLogP of -2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;trimethyl-(3-methylborinin-2-yl)silane;zirconium(3+);dichloride is sourced from PubChem (CID 173179946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).