bis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride

C19H30ClSiZr- — CID 173316338

IUPACbis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride
SMILESCC1=CC(C)=C([C-](C2=C(C)C=C(C)C2C)[SiH](C)C)C1C.Cl.[Zr]
InChIInChI=1S/C19H29Si.ClH.Zr/c1-11-9-13(3)17(15(11)5)19(20(7)8)18-14(4)10-12(2)16(18)6;;/h9-10,15-16,20H,1-8H3;1H;/q-1;;
InChIKeyBQUUNLNYQUZIOU-UHFFFAOYSA-N
MW413.21 g/mol
LogP5.83
Rot. Bonds3

About bis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride

bis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride (PubChem CID 173316338) has the molecular formula C19H30ClSiZr- and a molecular weight of 413.21 g/mol. Its IUPAC name is bis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride.

Molecular Properties

Compound Namebis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride
PubChem CID173316338
Molecular FormulaC19H30ClSiZr-
Molecular Weight413.21 g/mol
Exact Mass411.09
IUPAC Namebis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride
SMILESCC1=CC(C)=C([C-](C2=C(C)C=C(C)C2C)[SiH](C)C)C1C.Cl.[Zr]
InChIInChI=1S/C19H29Si.ClH.Zr/c1-11-9-13(3)17(15(11)5)19(20(7)8)18-14(4)10-12(2)16(18)6;;/h9-10,15-16,20H,1-8H3;1H;/q-1;;
InChIKeyBQUUNLNYQUZIOU-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.21
LogP ≤ 55.83
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 bis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride?
The IUPAC name of bis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride (CID 173316338) is bis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride.
What is the SMILES notation for bis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride?
The canonical SMILES for bis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride is CC1=CC(C)=C([C-](C2=C(C)C=C(C)C2C)[SiH](C)C)C1C.Cl.[Zr].
What is the InChIKey of bis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride?
The InChIKey is BQUUNLNYQUZIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Si.ClH.Zr/c1-11-9-13(3)17(15(11)5)19(20(7)8)18-14(4)10-12(2)16(18)6;;/h9-10,15-16,20H,1-8H3;1H;/q-1;;.
What are the key properties of bis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride?
bis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride has a molecular weight of 413.21 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,5-trimethylcyclopenta-1,3-dien-1-yl)methyl-dimethylsilane;zirconium;hydrochloride is sourced from PubChem (CID 173316338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).