1-cyclopenta-1,4-dien-1-ylpropyl-dimethyl-trimethylsilyloxysilane;titanium;dihydrochloride

C13H27Cl2OSi2Ti- — CID 87976404

IUPAC1-cyclopenta-1,4-dien-1-ylpropyl-dimethyl-trimethylsilyloxysilane;titanium;dihydrochloride
SMILESCCC(C1=[C-]CC=C1)[Si](C)(C)O[Si](C)(C)C.Cl.Cl.[Ti]
InChIInChI=1S/C13H25OSi2.2ClH.Ti/c1-7-13(12-10-8-9-11-12)16(5,6)14-15(2,3)4;;;/h8,10,13H,7,9H2,1-6H3;2*1H;/q-1;;;
InChIKeyGFWNALRHOJAYBA-UHFFFAOYSA-N
MW374.30 g/mol
LogP5.35
Rot. Bonds5

About 1-cyclopenta-1,4-dien-1-ylpropyl-dimethyl-trimethylsilyloxysilane;titanium;dihydrochloride

1-cyclopenta-1,4-dien-1-ylpropyl-dimethyl-trimethylsilyloxysilane;titanium;dihydrochloride (PubChem CID 87976404) has the molecular formula C13H27Cl2OSi2Ti- and a molecular weight of 374.30 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-ylpropyl-dimethyl-trimethylsilyloxysilane;titanium;dihydrochloride.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-ylpropyl-dimethyl-trimethylsilyloxysilane;titanium;dihydrochloride
PubChem CID87976404
Molecular FormulaC13H27Cl2OSi2Ti-
Molecular Weight374.30 g/mol
Exact Mass373.05
IUPAC Name1-cyclopenta-1,4-dien-1-ylpropyl-dimethyl-trimethylsilyloxysilane;titanium;dihydrochloride
SMILESCCC(C1=[C-]CC=C1)[Si](C)(C)O[Si](C)(C)C.Cl.Cl.[Ti]
InChIInChI=1S/C13H25OSi2.2ClH.Ti/c1-7-13(12-10-8-9-11-12)16(5,6)14-15(2,3)4;;;/h8,10,13H,7,9H2,1-6H3;2*1H;/q-1;;;
InChIKeyGFWNALRHOJAYBA-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.30
LogP ≤ 55.35
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 1-cyclopenta-1,4-dien-1-ylpropyl-dimethyl-trimethylsilyloxysilane;titanium;dihydrochloride?
The IUPAC name of 1-cyclopenta-1,4-dien-1-ylpropyl-dimethyl-trimethylsilyloxysilane;titanium;dihydrochloride (CID 87976404) is 1-cyclopenta-1,4-dien-1-ylpropyl-dimethyl-trimethylsilyloxysilane;titanium;dihydrochloride.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-ylpropyl-dimethyl-trimethylsilyloxysilane;titanium;dihydrochloride?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-ylpropyl-dimethyl-trimethylsilyloxysilane;titanium;dihydrochloride is CCC(C1=[C-]CC=C1)[Si](C)(C)O[Si](C)(C)C.Cl.Cl.[Ti].
What is the InChIKey of 1-cyclopenta-1,4-dien-1-ylpropyl-dimethyl-trimethylsilyloxysilane;titanium;dihydrochloride?
The InChIKey is GFWNALRHOJAYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25OSi2.2ClH.Ti/c1-7-13(12-10-8-9-11-12)16(5,6)14-15(2,3)4;;;/h8,10,13H,7,9H2,1-6H3;2*1H;/q-1;;;.
What are the key properties of 1-cyclopenta-1,4-dien-1-ylpropyl-dimethyl-trimethylsilyloxysilane;titanium;dihydrochloride?
1-cyclopenta-1,4-dien-1-ylpropyl-dimethyl-trimethylsilyloxysilane;titanium;dihydrochloride has a molecular weight of 374.30 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-ylpropyl-dimethyl-trimethylsilyloxysilane;titanium;dihydrochloride is sourced from PubChem (CID 87976404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).