tert-butyl-(5-dimethylsilyl-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)azanide;titanium;dihydrochloride

C15H30Cl2NSiTi- — CID 173089760

IUPACtert-butyl-(5-dimethylsilyl-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)azanide;titanium;dihydrochloride
SMILESCC1=C(C)C(C)([SiH](C)C)C([N-]C(C)(C)C)=C1C.Cl.Cl.[Ti]
InChIInChI=1S/C15H28NSi.2ClH.Ti/c1-10-11(2)13(16-14(4,5)6)15(7,12(10)3)17(8)9;;;/h17H,1-9H3;2*1H;/q-1;;;
InChIKeyPOZDVFGJCUTDBZ-UHFFFAOYSA-N
MW371.27 g/mol
LogP5.87
Rot. Bonds2

About tert-butyl-(5-dimethylsilyl-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)azanide;titanium;dihydrochloride

tert-butyl-(5-dimethylsilyl-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)azanide;titanium;dihydrochloride (PubChem CID 173089760) has the molecular formula C15H30Cl2NSiTi- and a molecular weight of 371.27 g/mol. Its IUPAC name is tert-butyl-(5-dimethylsilyl-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)azanide;titanium;dihydrochloride.

Molecular Properties

Compound Nametert-butyl-(5-dimethylsilyl-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)azanide;titanium;dihydrochloride
PubChem CID173089760
Molecular FormulaC15H30Cl2NSiTi-
Molecular Weight371.27 g/mol
Exact Mass370.10
IUPAC Nametert-butyl-(5-dimethylsilyl-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)azanide;titanium;dihydrochloride
SMILESCC1=C(C)C(C)([SiH](C)C)C([N-]C(C)(C)C)=C1C.Cl.Cl.[Ti]
InChIInChI=1S/C15H28NSi.2ClH.Ti/c1-10-11(2)13(16-14(4,5)6)15(7,12(10)3)17(8)9;;;/h17H,1-9H3;2*1H;/q-1;;;
InChIKeyPOZDVFGJCUTDBZ-UHFFFAOYSA-N
XLogP5.87
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.27
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5-dimethylsilyl-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)azanide;titanium;dihydrochloride?
The IUPAC name of tert-butyl-(5-dimethylsilyl-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)azanide;titanium;dihydrochloride (CID 173089760) is tert-butyl-(5-dimethylsilyl-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)azanide;titanium;dihydrochloride.
What is the SMILES notation for tert-butyl-(5-dimethylsilyl-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)azanide;titanium;dihydrochloride?
The canonical SMILES for tert-butyl-(5-dimethylsilyl-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)azanide;titanium;dihydrochloride is CC1=C(C)C(C)([SiH](C)C)C([N-]C(C)(C)C)=C1C.Cl.Cl.[Ti].
What is the InChIKey of tert-butyl-(5-dimethylsilyl-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)azanide;titanium;dihydrochloride?
The InChIKey is POZDVFGJCUTDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28NSi.2ClH.Ti/c1-10-11(2)13(16-14(4,5)6)15(7,12(10)3)17(8)9;;;/h17H,1-9H3;2*1H;/q-1;;;.
What are the key properties of tert-butyl-(5-dimethylsilyl-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)azanide;titanium;dihydrochloride?
tert-butyl-(5-dimethylsilyl-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)azanide;titanium;dihydrochloride has a molecular weight of 371.27 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-dimethylsilyl-2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)azanide;titanium;dihydrochloride is sourced from PubChem (CID 173089760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).