cyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride

C19H26Cl2OSiZr — CID 87935838

IUPACcyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride
SMILESC[Si](C)(C)OCC[c-]1ccc2ccccc21.Cl.Cl.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C14H19OSi.C5H5.2ClH.Zr/c1-16(2,3)15-11-10-13-9-8-12-6-4-5-7-14(12)13;1-2-4-5-3-1;;;/h4-9H,10-11H2,1-3H3;1-3H,4H2;2*1H;/q2*-1;;;+2
InChIKeyFNSAJNBSJNKDHI-UHFFFAOYSA-N
MW460.63 g/mol
LogP6.10
Rot. Bonds4

About cyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride

cyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride (PubChem CID 87935838) has the molecular formula C19H26Cl2OSiZr and a molecular weight of 460.63 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride
PubChem CID87935838
Molecular FormulaC19H26Cl2OSiZr
Molecular Weight460.63 g/mol
Exact Mass458.02
IUPAC Namecyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride
SMILESC[Si](C)(C)OCC[c-]1ccc2ccccc21.Cl.Cl.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C14H19OSi.C5H5.2ClH.Zr/c1-16(2,3)15-11-10-13-9-8-12-6-4-5-7-14(12)13;1-2-4-5-3-1;;;/h4-9H,10-11H2,1-3H3;1-3H,4H2;2*1H;/q2*-1;;;+2
InChIKeyFNSAJNBSJNKDHI-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.63
LogP ≤ 56.10
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 cyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride?
The IUPAC name of cyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride (CID 87935838) is cyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride.
What is the SMILES notation for cyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride?
The canonical SMILES for cyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride is C[Si](C)(C)OCC[c-]1ccc2ccccc21.Cl.Cl.[C-]1=CC=CC1.[Zr+2].
What is the InChIKey of cyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride?
The InChIKey is FNSAJNBSJNKDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19OSi.C5H5.2ClH.Zr/c1-16(2,3)15-11-10-13-9-8-12-6-4-5-7-14(12)13;1-2-4-5-3-1;;;/h4-9H,10-11H2,1-3H3;1-3H,4H2;2*1H;/q2*-1;;;+2.
What are the key properties of cyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride?
cyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride has a molecular weight of 460.63 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-inden-1-id-1-ylethoxy(trimethyl)silane;zirconium(2+);dihydrochloride is sourced from PubChem (CID 87935838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).