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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzoborinine;cyclopenta-1,3-diene;zirconium(3+);dichloride
CID 18760456
cyclopenta-1,3-diene;iron(2+);2-methylphenolate
CID 174698889
bis(cyclopenta-1,3-diene);bis(2,6-dimethylphenol);zirconium(2+)
CID 22676114
cyclopenta-1,3-diene;hexafluoroantimony(1-);iron(3+);1,2-xylene
CID 21188889
cyclopenta-1,3-diene;1,3-dimethylbenzene-2-ide;titanium(4+);dichloride
CID 87146569
cyclopenta-1,3-diene;2-methylpropane;zirconium(3+);trichloride
CID 175602961
bis(cyclopenta-1,3-diene);trimethyl(phenylmethyl)silane;zirconium(3+)
CID 23184968
bis(cyclopenta-1,3-diene);rhodium(2+);chloride
CID 18934400
hexakis(cyclopenta-1,3-diene);tris(niobium(2+));trichloride
CID 21269223
cyclopenta-1,3-diene;zirconium(4+);tetrachloride
CID 173166771
carbanide;cyclopenta-1,3-diene;dichlorotitanium;2-methylphenol
CID 87555289
cyclopenta-1,3-diene;bis(methanidyl(trimethyl)silane);titanium(3+)
CID 173151903

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).