(N-tert-Butyl-1,1-dimethyl-1-(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silanaminato)dichlorotitanium(IV)

C15H27Cl2NSiTi- — CID 11014054

IUPAC—
SMILESC[C]1C(C)=C(C)C(C)=C1[Si](C)(C)[N-]C(C)(C)C.Cl[Ti]Cl
InChIInChI=1S/C15H27NSi.2ClH.Ti/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;/h1-9H3;2*1H;/q-1;;;+2/p-2
InChIKeyOXQYDCCXYYUFSZ-UHFFFAOYSA-L
MW368.25 g/mol
LogP6.54
Rot. Bonds2

About (N-tert-Butyl-1,1-dimethyl-1-(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silanaminato)dichlorotitanium(IV)

(N-tert-Butyl-1,1-dimethyl-1-(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silanaminato)dichlorotitanium(IV) (PubChem CID 11014054) has the molecular formula C15H27Cl2NSiTi- and a molecular weight of 368.25 g/mol.

Molecular Properties

Compound Name(N-tert-Butyl-1,1-dimethyl-1-(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silanaminato)dichlorotitanium(IV)
PubChem CID11014054
Molecular FormulaC15H27Cl2NSiTi-
Molecular Weight368.25 g/mol
Exact Mass367.08
IUPAC Name—
SMILESC[C]1C(C)=C(C)C(C)=C1[Si](C)(C)[N-]C(C)(C)C.Cl[Ti]Cl
InChIInChI=1S/C15H27NSi.2ClH.Ti/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;/h1-9H3;2*1H;/q-1;;;+2/p-2
InChIKeyOXQYDCCXYYUFSZ-UHFFFAOYSA-L
XLogP6.54
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.25
LogP ≤ 56.54
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 (N-tert-Butyl-1,1-dimethyl-1-(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silanaminato)dichlorotitanium(IV)?
The IUPAC name of (N-tert-Butyl-1,1-dimethyl-1-(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silanaminato)dichlorotitanium(IV) (CID 11014054) is not available.
What is the SMILES notation for (N-tert-Butyl-1,1-dimethyl-1-(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silanaminato)dichlorotitanium(IV)?
The canonical SMILES for (N-tert-Butyl-1,1-dimethyl-1-(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silanaminato)dichlorotitanium(IV) is C[C]1C(C)=C(C)C(C)=C1[Si](C)(C)[N-]C(C)(C)C.Cl[Ti]Cl.
What is the InChIKey of (N-tert-Butyl-1,1-dimethyl-1-(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silanaminato)dichlorotitanium(IV)?
The InChIKey is OXQYDCCXYYUFSZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H27NSi.2ClH.Ti/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;;;/h1-9H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of (N-tert-Butyl-1,1-dimethyl-1-(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silanaminato)dichlorotitanium(IV)?
(N-tert-Butyl-1,1-dimethyl-1-(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silanaminato)dichlorotitanium(IV) has a molecular weight of 368.25 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (N-tert-Butyl-1,1-dimethyl-1-(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silanaminato)dichlorotitanium(IV) is sourced from PubChem (CID 11014054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).