cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride

C30H40Cl2Si2Zr-2 — CID 87776189

IUPACcyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride
SMILESC[Si](C)(C)c1c[c-]c2c(c1)-c1cc([Si](C)(C)C)ccc1C2.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2]=C1CCCCC1
InChIInChI=1S/C19H25Si2.C6H10.C5H5.2ClH.Zr/c1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16;1-2-4-6-5-3-1;1-2-4-5-3-1;;;/h7,9-10,12-13H,11H2,1-6H3;1-5H2;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyBLJUSLTYTBJISW-UHFFFAOYSA-L
MW618.95 g/mol
LogP1.13
Rot. Bonds2

About cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride

cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride (PubChem CID 87776189) has the molecular formula C30H40Cl2Si2Zr-2 and a molecular weight of 618.95 g/mol. Its IUPAC name is cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride.

Molecular Properties

Compound Namecyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride
PubChem CID87776189
Molecular FormulaC30H40Cl2Si2Zr-2
Molecular Weight618.95 g/mol
Exact Mass616.11
IUPAC Namecyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride
SMILESC[Si](C)(C)c1c[c-]c2c(c1)-c1cc([Si](C)(C)C)ccc1C2.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2]=C1CCCCC1
InChIInChI=1S/C19H25Si2.C6H10.C5H5.2ClH.Zr/c1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16;1-2-4-6-5-3-1;1-2-4-5-3-1;;;/h7,9-10,12-13H,11H2,1-6H3;1-5H2;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyBLJUSLTYTBJISW-UHFFFAOYSA-L
XLogP1.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.95
LogP ≤ 51.13
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 cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride?
The IUPAC name of cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride (CID 87776189) is cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride.
What is the SMILES notation for cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride?
The canonical SMILES for cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride is C[Si](C)(C)c1c[c-]c2c(c1)-c1cc([Si](C)(C)C)ccc1C2.[C-]1=CC=CC1.[Cl-].[Cl-].[Zr+2]=C1CCCCC1.
What is the InChIKey of cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride?
The InChIKey is BLJUSLTYTBJISW-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H25Si2.C6H10.C5H5.2ClH.Zr/c1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16;1-2-4-6-5-3-1;1-2-4-5-3-1;;;/h7,9-10,12-13H,11H2,1-6H3;1-5H2;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2.
What are the key properties of cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride?
cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride has a molecular weight of 618.95 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;trimethyl-(6-trimethylsilyl-1,9-dihydrofluoren-1-id-3-yl)silane;dichloride is sourced from PubChem (CID 87776189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).