cyclopenta-1,4-dien-1-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane;titanium;dihydrochloride

C11H21Cl2OSiTi- — CID 87976199

IUPACcyclopenta-1,4-dien-1-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane;titanium;dihydrochloride
SMILESCC(C)(C)O[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Ti]
InChIInChI=1S/C11H19OSi.2ClH.Ti/c1-11(2,3)12-13(4,5)10-8-6-7-9-10;;;/h6,8H,7H2,1-5H3;2*1H;/q-1;;;
InChIKeyXZTHUPIUGFGVFT-UHFFFAOYSA-N
MW316.15 g/mol
LogP4.08
Rot. Bonds2

About cyclopenta-1,4-dien-1-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane;titanium;dihydrochloride

cyclopenta-1,4-dien-1-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane;titanium;dihydrochloride (PubChem CID 87976199) has the molecular formula C11H21Cl2OSiTi- and a molecular weight of 316.15 g/mol. Its IUPAC name is cyclopenta-1,4-dien-1-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane;titanium;dihydrochloride.

Molecular Properties

Compound Namecyclopenta-1,4-dien-1-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane;titanium;dihydrochloride
PubChem CID87976199
Molecular FormulaC11H21Cl2OSiTi-
Molecular Weight316.15 g/mol
Exact Mass315.02
IUPAC Namecyclopenta-1,4-dien-1-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane;titanium;dihydrochloride
SMILESCC(C)(C)O[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Ti]
InChIInChI=1S/C11H19OSi.2ClH.Ti/c1-11(2,3)12-13(4,5)10-8-6-7-9-10;;;/h6,8H,7H2,1-5H3;2*1H;/q-1;;;
InChIKeyXZTHUPIUGFGVFT-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 54.08
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-methylpropan-2-yl)oxy]silane;titanium;dihydrochloride?
The IUPAC name of cyclopenta-1,4-dien-1-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane;titanium;dihydrochloride (CID 87976199) is cyclopenta-1,4-dien-1-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane;titanium;dihydrochloride.
What is the SMILES notation for cyclopenta-1,4-dien-1-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane;titanium;dihydrochloride?
The canonical SMILES for cyclopenta-1,4-dien-1-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane;titanium;dihydrochloride is CC(C)(C)O[Si](C)(C)C1=[C-]CC=C1.Cl.Cl.[Ti].
What is the InChIKey of cyclopenta-1,4-dien-1-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane;titanium;dihydrochloride?
The InChIKey is XZTHUPIUGFGVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19OSi.2ClH.Ti/c1-11(2,3)12-13(4,5)10-8-6-7-9-10;;;/h6,8H,7H2,1-5H3;2*1H;/q-1;;;.
What are the key properties of cyclopenta-1,4-dien-1-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane;titanium;dihydrochloride?
cyclopenta-1,4-dien-1-yl-dimethyl-[(2-methylpropan-2-yl)oxy]silane;titanium;dihydrochloride has a molecular weight of 316.15 g/mol, XLogP of 4.08, 2 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-methylpropan-2-yl)oxy]silane;titanium;dihydrochloride is sourced from PubChem (CID 87976199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).