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

C16H23Cl2OSiTi — CID 87975953

IUPACcyclopenta-1,4-dien-1-yl-(1-methoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride
SMILESCOC1([Si](C)(C)C2=[C-]CC=C2)CC=C(C)C=C1C.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C16H23OSi.2ClH.Ti/c1-13-10-11-16(17-3,14(2)12-13)18(4,5)15-8-6-7-9-15;;;/h6,8,10,12H,7,11H2,1-5H3;2*1H;/q-1;;;+3/p-2
InChIKeyAFETYSWYAIKMHG-UHFFFAOYSA-L
MW378.22 g/mol
LogP-1.85
Rot. Bonds3

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

cyclopenta-1,4-dien-1-yl-(1-methoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride (PubChem CID 87975953) has the molecular formula C16H23Cl2OSiTi and a molecular weight of 378.22 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl-(1-methoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl-(1-methoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride
PubChem CID87975953
Molecular FormulaC16H23Cl2OSiTi
Molecular Weight378.22 g/mol
Exact Mass377.04
IUPAC Namecyclopenta-1,4-dien-1-yl-(1-methoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride
SMILESCOC1([Si](C)(C)C2=[C-]CC=C2)CC=C(C)C=C1C.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C16H23OSi.2ClH.Ti/c1-13-10-11-16(17-3,14(2)12-13)18(4,5)15-8-6-7-9-15;;;/h6,8,10,12H,7,11H2,1-5H3;2*1H;/q-1;;;+3/p-2
InChIKeyAFETYSWYAIKMHG-UHFFFAOYSA-L
XLogP-1.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 5-1.85
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-(1-methoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride?
The IUPAC name of cyclopenta-1,4-dien-1-yl-(1-methoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride (CID 87975953) is cyclopenta-1,4-dien-1-yl-(1-methoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl-(1-methoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride?
The canonical SMILES for cyclopenta-1,4-dien-1-yl-(1-methoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride is COC1([Si](C)(C)C2=[C-]CC=C2)CC=C(C)C=C1C.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of cyclopenta-1,4-dien-1-yl-(1-methoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride?
The InChIKey is AFETYSWYAIKMHG-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H23OSi.2ClH.Ti/c1-13-10-11-16(17-3,14(2)12-13)18(4,5)15-8-6-7-9-15;;;/h6,8,10,12H,7,11H2,1-5H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of cyclopenta-1,4-dien-1-yl-(1-methoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride?
cyclopenta-1,4-dien-1-yl-(1-methoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride has a molecular weight of 378.22 g/mol, XLogP of -1.85, 3 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-(1-methoxy-2,4-dimethylcyclohexa-2,4-dien-1-yl)-dimethylsilane;titanium(3+);dichloride is sourced from PubChem (CID 87975953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).