3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;zirconium(3+);dichloride

C16H23Cl2OSiZr — CID 86597162

IUPAC3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;zirconium(3+);dichloride
SMILESC[Si](C)(C)OCCCC1=[C-]CC=C1C1=CC=CC1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C16H23OSi.2ClH.Zr/c1-18(2,3)17-13-7-11-15-10-6-12-16(15)14-8-4-5-9-14;;;/h4-5,8,12H,6-7,9,11,13H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyHOHBQWKOIRJLAF-UHFFFAOYSA-L
MW421.58 g/mol
LogP-1.43
Rot. Bonds6

About 3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;zirconium(3+);dichloride

3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;zirconium(3+);dichloride (PubChem CID 86597162) has the molecular formula C16H23Cl2OSiZr and a molecular weight of 421.58 g/mol. Its IUPAC name is 3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;zirconium(3+);dichloride.

Molecular Properties

Compound Name3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;zirconium(3+);dichloride
PubChem CID86597162
Molecular FormulaC16H23Cl2OSiZr
Molecular Weight421.58 g/mol
Exact Mass418.99
IUPAC Name3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;zirconium(3+);dichloride
SMILESC[Si](C)(C)OCCCC1=[C-]CC=C1C1=CC=CC1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C16H23OSi.2ClH.Zr/c1-18(2,3)17-13-7-11-15-10-6-12-16(15)14-8-4-5-9-14;;;/h4-5,8,12H,6-7,9,11,13H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyHOHBQWKOIRJLAF-UHFFFAOYSA-L
XLogP-1.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.58
LogP ≤ 5-1.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;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

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;zirconium(3+);dichloride?
The IUPAC name of 3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;zirconium(3+);dichloride (CID 86597162) is 3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;zirconium(3+);dichloride.
What is the SMILES notation for 3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;zirconium(3+);dichloride?
The canonical SMILES for 3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;zirconium(3+);dichloride is C[Si](C)(C)OCCCC1=[C-]CC=C1C1=CC=CC1.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of 3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;zirconium(3+);dichloride?
The InChIKey is HOHBQWKOIRJLAF-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H23OSi.2ClH.Zr/c1-18(2,3)17-13-7-11-15-10-6-12-16(15)14-8-4-5-9-14;;;/h4-5,8,12H,6-7,9,11,13H2,1-3H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;zirconium(3+);dichloride?
3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;zirconium(3+);dichloride has a molecular weight of 421.58 g/mol, XLogP of -1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopenta-1,3-dien-1-ylcyclopenta-1,4-dien-1-yl)propoxy-trimethylsilane;zirconium(3+);dichloride is sourced from PubChem (CID 86597162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).