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

C17H27Cl2OSi2Ti — CID 87975777

IUPACcyclopenta-1,4-dien-1-yl-dimethyl-(2-methyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)silane;titanium(3+);dichloride
SMILESCC1=CC=CCC1(O[Si](C)(C)C)[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C17H27OSi2.2ClH.Ti/c1-15-11-9-10-14-17(15,18-19(2,3)4)20(5,6)16-12-7-8-13-16;;;/h7,9-12H,8,14H2,1-6H3;2*1H;/q-1;;;+3/p-2
InChIKeySUCIAOZXERBPGJ-UHFFFAOYSA-L
MW422.35 g/mol
LogP-1.04
Rot. Bonds4

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

cyclopenta-1,4-dien-1-yl-dimethyl-(2-methyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)silane;titanium(3+);dichloride (PubChem CID 87975777) has the molecular formula C17H27Cl2OSi2Ti and a molecular weight of 422.35 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl-dimethyl-(2-methyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)silane;titanium(3+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl-dimethyl-(2-methyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)silane;titanium(3+);dichloride
PubChem CID87975777
Molecular FormulaC17H27Cl2OSi2Ti
Molecular Weight422.35 g/mol
Exact Mass421.05
IUPAC Namecyclopenta-1,4-dien-1-yl-dimethyl-(2-methyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)silane;titanium(3+);dichloride
SMILESCC1=CC=CCC1(O[Si](C)(C)C)[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C17H27OSi2.2ClH.Ti/c1-15-11-9-10-14-17(15,18-19(2,3)4)20(5,6)16-12-7-8-13-16;;;/h7,9-12H,8,14H2,1-6H3;2*1H;/q-1;;;+3/p-2
InChIKeySUCIAOZXERBPGJ-UHFFFAOYSA-L
XLogP-1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.35
LogP ≤ 5-1.04
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-dimethyl-(2-methyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)silane;titanium(3+);dichloride?
The IUPAC name of cyclopenta-1,4-dien-1-yl-dimethyl-(2-methyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)silane;titanium(3+);dichloride (CID 87975777) is cyclopenta-1,4-dien-1-yl-dimethyl-(2-methyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)silane;titanium(3+);dichloride.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl-dimethyl-(2-methyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)silane;titanium(3+);dichloride?
The canonical SMILES for cyclopenta-1,4-dien-1-yl-dimethyl-(2-methyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)silane;titanium(3+);dichloride is CC1=CC=CCC1(O[Si](C)(C)C)[Si](C)(C)C1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of cyclopenta-1,4-dien-1-yl-dimethyl-(2-methyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)silane;titanium(3+);dichloride?
The InChIKey is SUCIAOZXERBPGJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H27OSi2.2ClH.Ti/c1-15-11-9-10-14-17(15,18-19(2,3)4)20(5,6)16-12-7-8-13-16;;;/h7,9-12H,8,14H2,1-6H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of cyclopenta-1,4-dien-1-yl-dimethyl-(2-methyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)silane;titanium(3+);dichloride?
cyclopenta-1,4-dien-1-yl-dimethyl-(2-methyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)silane;titanium(3+);dichloride has a molecular weight of 422.35 g/mol, XLogP of -1.04, 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-dimethyl-(2-methyl-1-trimethylsilyloxycyclohexa-2,4-dien-1-yl)silane;titanium(3+);dichloride is sourced from PubChem (CID 87975777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).