2-(2-cyclopenta-1,4-dien-1-yl-1H-inden-1-yl)ethoxy-trimethylsilane;zirconium

C19H23OSiZr- — CID 87936755

IUPAC2-(2-cyclopenta-1,4-dien-1-yl-1H-inden-1-yl)ethoxy-trimethylsilane;zirconium
SMILESC[Si](C)(C)OCCC1C(C2=[C-]CC=C2)=Cc2ccccc21.[Zr]
InChIInChI=1S/C19H23OSi.Zr/c1-21(2,3)20-13-12-18-17-11-7-6-10-16(17)14-19(18)15-8-4-5-9-15;/h4,6-8,10-11,14,18H,5,12-13H2,1-3H3;/q-1;
InChIKeyCIAMFMLJZFICNL-UHFFFAOYSA-N
MW386.70 g/mol
LogP5.10
Rot. Bonds5

About 2-(2-cyclopenta-1,4-dien-1-yl-1H-inden-1-yl)ethoxy-trimethylsilane;zirconium

2-(2-cyclopenta-1,4-dien-1-yl-1H-inden-1-yl)ethoxy-trimethylsilane;zirconium (PubChem CID 87936755) has the molecular formula C19H23OSiZr- and a molecular weight of 386.70 g/mol. Its IUPAC name is 2-(2-cyclopenta-1,4-dien-1-yl-1H-inden-1-yl)ethoxy-trimethylsilane;zirconium.

Molecular Properties

Compound Name2-(2-cyclopenta-1,4-dien-1-yl-1H-inden-1-yl)ethoxy-trimethylsilane;zirconium
PubChem CID87936755
Molecular FormulaC19H23OSiZr-
Molecular Weight386.70 g/mol
Exact Mass385.06
IUPAC Name2-(2-cyclopenta-1,4-dien-1-yl-1H-inden-1-yl)ethoxy-trimethylsilane;zirconium
SMILESC[Si](C)(C)OCCC1C(C2=[C-]CC=C2)=Cc2ccccc21.[Zr]
InChIInChI=1S/C19H23OSi.Zr/c1-21(2,3)20-13-12-18-17-11-7-6-10-16(17)14-19(18)15-8-4-5-9-15;/h4,6-8,10-11,14,18H,5,12-13H2,1-3H3;/q-1;
InChIKeyCIAMFMLJZFICNL-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.70
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(2-cyclopenta-1,4-dien-1-yl-1H-inden-1-yl)ethoxy-trimethylsilane;zirconium?
The IUPAC name of 2-(2-cyclopenta-1,4-dien-1-yl-1H-inden-1-yl)ethoxy-trimethylsilane;zirconium (CID 87936755) is 2-(2-cyclopenta-1,4-dien-1-yl-1H-inden-1-yl)ethoxy-trimethylsilane;zirconium.
What is the SMILES notation for 2-(2-cyclopenta-1,4-dien-1-yl-1H-inden-1-yl)ethoxy-trimethylsilane;zirconium?
The canonical SMILES for 2-(2-cyclopenta-1,4-dien-1-yl-1H-inden-1-yl)ethoxy-trimethylsilane;zirconium is C[Si](C)(C)OCCC1C(C2=[C-]CC=C2)=Cc2ccccc21.[Zr].
What is the InChIKey of 2-(2-cyclopenta-1,4-dien-1-yl-1H-inden-1-yl)ethoxy-trimethylsilane;zirconium?
The InChIKey is CIAMFMLJZFICNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23OSi.Zr/c1-21(2,3)20-13-12-18-17-11-7-6-10-16(17)14-19(18)15-8-4-5-9-15;/h4,6-8,10-11,14,18H,5,12-13H2,1-3H3;/q-1;.
What are the key properties of 2-(2-cyclopenta-1,4-dien-1-yl-1H-inden-1-yl)ethoxy-trimethylsilane;zirconium?
2-(2-cyclopenta-1,4-dien-1-yl-1H-inden-1-yl)ethoxy-trimethylsilane;zirconium has a molecular weight of 386.70 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopenta-1,4-dien-1-yl-1H-inden-1-yl)ethoxy-trimethylsilane;zirconium is sourced from PubChem (CID 87936755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).