cyclopenta-1,4-dien-1-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride

C9H15Cl2OSiTi — CID 87976157

IUPACcyclopenta-1,4-dien-1-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride
SMILESCO[Si](C)(C)CC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C9H15OSi.2ClH.Ti/c1-10-11(2,3)8-9-6-4-5-7-9;;;/h4,6H,5,8H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyVZRBDCZKTVMCKL-UHFFFAOYSA-L
MW286.08 g/mol
LogP-3.47
Rot. Bonds3

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

cyclopenta-1,4-dien-1-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride (PubChem CID 87976157) has the molecular formula C9H15Cl2OSiTi and a molecular weight of 286.08 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride
PubChem CID87976157
Molecular FormulaC9H15Cl2OSiTi
Molecular Weight286.08 g/mol
Exact Mass284.97
IUPAC Namecyclopenta-1,4-dien-1-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride
SMILESCO[Si](C)(C)CC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C9H15OSi.2ClH.Ti/c1-10-11(2,3)8-9-6-4-5-7-9;;;/h4,6H,5,8H2,1-3H3;2*1H;/q-1;;;+3/p-2
InChIKeyVZRBDCZKTVMCKL-UHFFFAOYSA-L
XLogP-3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 5-3.47
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-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride?
The IUPAC name of cyclopenta-1,4-dien-1-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride (CID 87976157) is cyclopenta-1,4-dien-1-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride.
What is the SMILES notation for cyclopenta-1,4-dien-1-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride?
The canonical SMILES for cyclopenta-1,4-dien-1-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride is CO[Si](C)(C)CC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of cyclopenta-1,4-dien-1-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride?
The InChIKey is VZRBDCZKTVMCKL-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H15OSi.2ClH.Ti/c1-10-11(2,3)8-9-6-4-5-7-9;;;/h4,6H,5,8H2,1-3H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of cyclopenta-1,4-dien-1-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride?
cyclopenta-1,4-dien-1-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride has a molecular weight of 286.08 g/mol, XLogP of -3.47, 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-ylmethyl-methoxy-dimethylsilane;titanium(3+);dichloride is sourced from PubChem (CID 87976157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).