cyclopenta-1,4-dien-1-yl-(2,4-dimethyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride

C18H29Cl2OSi2Ti — CID 87976210

IUPACcyclopenta-1,4-dien-1-yl-(2,4-dimethyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride
SMILESCC1=CCC(O[Si](C)(C)C)([Si](C)(C)C2=[C-]CC=C2)C(C)=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C18H29OSi2.2ClH.Ti/c1-15-12-13-18(16(2)14-15,19-20(3,4)5)21(6,7)17-10-8-9-11-17;;;/h8,10,12,14H,9,13H2,1-7H3;2*1H;/q-1;;;+3/p-2
InChIKeyUUJPOYRBWKESSQ-UHFFFAOYSA-L
MW436.37 g/mol
LogP-0.65
Rot. Bonds4

About cyclopenta-1,4-dien-1-yl-(2,4-dimethyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride

cyclopenta-1,4-dien-1-yl-(2,4-dimethyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride (PubChem CID 87976210) has the molecular formula C18H29Cl2OSi2Ti and a molecular weight of 436.37 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl-(2,4-dimethyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl-(2,4-dimethyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride
PubChem CID87976210
Molecular FormulaC18H29Cl2OSi2Ti
Molecular Weight436.37 g/mol
Exact Mass435.06
IUPAC Namecyclopenta-1,4-dien-1-yl-(2,4-dimethyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride
SMILESCC1=CCC(O[Si](C)(C)C)([Si](C)(C)C2=[C-]CC=C2)C(C)=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C18H29OSi2.2ClH.Ti/c1-15-12-13-18(16(2)14-15,19-20(3,4)5)21(6,7)17-10-8-9-11-17;;;/h8,10,12,14H,9,13H2,1-7H3;2*1H;/q-1;;;+3/p-2
InChIKeyUUJPOYRBWKESSQ-UHFFFAOYSA-L
XLogP-0.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 5-0.65
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-1,4-dien-1-yl-(2,4-dimethyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride?
The IUPAC name of cyclopenta-1,4-dien-1-yl-(2,4-dimethyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride (CID 87976210) is cyclopenta-1,4-dien-1-yl-(2,4-dimethyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl-(2,4-dimethyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride?
The canonical SMILES for cyclopenta-1,4-dien-1-yl-(2,4-dimethyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride is CC1=CCC(O[Si](C)(C)C)([Si](C)(C)C2=[C-]CC=C2)C(C)=C1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of cyclopenta-1,4-dien-1-yl-(2,4-dimethyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride?
The InChIKey is UUJPOYRBWKESSQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H29OSi2.2ClH.Ti/c1-15-12-13-18(16(2)14-15,19-20(3,4)5)21(6,7)17-10-8-9-11-17;;;/h8,10,12,14H,9,13H2,1-7H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of cyclopenta-1,4-dien-1-yl-(2,4-dimethyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride?
cyclopenta-1,4-dien-1-yl-(2,4-dimethyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride has a molecular weight of 436.37 g/mol, XLogP of -0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,4-dien-1-yl-(2,4-dimethyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride is sourced from PubChem (CID 87976210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).