cyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride

C15H24Cl2OSiZr — CID 87935813

IUPACcyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride
SMILESCCC1=[C-]CC=C1O[Si](C)(C)C.Cl.Cl.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C10H17OSi.C5H5.2ClH.Zr/c1-5-9-7-6-8-10(9)11-12(2,3)4;1-2-4-5-3-1;;;/h8H,5-6H2,1-4H3;1-3H,4H2;2*1H;/q2*-1;;;+2
InChIKeyAJILVHIUDXWFML-UHFFFAOYSA-N
MW410.57 g/mol
LogP5.41
Rot. Bonds3

About cyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride

cyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride (PubChem CID 87935813) has the molecular formula C15H24Cl2OSiZr and a molecular weight of 410.57 g/mol. Its IUPAC name is cyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride
PubChem CID87935813
Molecular FormulaC15H24Cl2OSiZr
Molecular Weight410.57 g/mol
Exact Mass408.00
IUPAC Namecyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride
SMILESCCC1=[C-]CC=C1O[Si](C)(C)C.Cl.Cl.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C10H17OSi.C5H5.2ClH.Zr/c1-5-9-7-6-8-10(9)11-12(2,3)4;1-2-4-5-3-1;;;/h8H,5-6H2,1-4H3;1-3H,4H2;2*1H;/q2*-1;;;+2
InChIKeyAJILVHIUDXWFML-UHFFFAOYSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.57
LogP ≤ 55.41
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'}

Analyze cyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride?
The IUPAC name of cyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride (CID 87935813) is cyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride.
What is the SMILES notation for cyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride?
The canonical SMILES for cyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride is CCC1=[C-]CC=C1O[Si](C)(C)C.Cl.Cl.[C-]1=CC=CC1.[Zr+2].
What is the InChIKey of cyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride?
The InChIKey is AJILVHIUDXWFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17OSi.C5H5.2ClH.Zr/c1-5-9-7-6-8-10(9)11-12(2,3)4;1-2-4-5-3-1;;;/h8H,5-6H2,1-4H3;1-3H,4H2;2*1H;/q2*-1;;;+2.
What are the key properties of cyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride?
cyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride has a molecular weight of 410.57 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;(5-ethylcyclopenta-1,4-dien-1-yl)oxy-trimethylsilane;zirconium(2+);dihydrochloride is sourced from PubChem (CID 87935813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).