[(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium

C22H28NOSiTi+ — CID 87871084

IUPAC[(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium
SMILESCC(C)(C)[N+](C)(C)[Si](=O)C1C(Cc2ccccc2)=Cc2ccccc21.[Ti]
InChIInChI=1S/C22H28NOSi.Ti/c1-22(2,3)23(4,5)25(24)21-19(15-17-11-7-6-8-12-17)16-18-13-9-10-14-20(18)21;/h6-14,16,21H,15H2,1-5H3;/q+1;
InChIKeyKCGDWIOYFXRBBV-UHFFFAOYSA-N
MW398.43 g/mol
LogP4.74
Rot. Bonds4

About [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium

[(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium (PubChem CID 87871084) has the molecular formula C22H28NOSiTi+ and a molecular weight of 398.43 g/mol. Its IUPAC name is [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium.

Molecular Properties

Compound Name[(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium
PubChem CID87871084
Molecular FormulaC22H28NOSiTi+
Molecular Weight398.43 g/mol
Exact Mass398.14
IUPAC Name[(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium
SMILESCC(C)(C)[N+](C)(C)[Si](=O)C1C(Cc2ccccc2)=Cc2ccccc21.[Ti]
InChIInChI=1S/C22H28NOSi.Ti/c1-22(2,3)23(4,5)25(24)21-19(15-17-11-7-6-8-12-17)16-18-13-9-10-14-20(18)21;/h6-14,16,21H,15H2,1-5H3;/q+1;
InChIKeyKCGDWIOYFXRBBV-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium?
The IUPAC name of [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium (CID 87871084) is [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium.
What is the SMILES notation for [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium?
The canonical SMILES for [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium is CC(C)(C)[N+](C)(C)[Si](=O)C1C(Cc2ccccc2)=Cc2ccccc21.[Ti].
What is the InChIKey of [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium?
The InChIKey is KCGDWIOYFXRBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28NOSi.Ti/c1-22(2,3)23(4,5)25(24)21-19(15-17-11-7-6-8-12-17)16-18-13-9-10-14-20(18)21;/h6-14,16,21H,15H2,1-5H3;/q+1;.
What are the key properties of [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium?
[(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium has a molecular weight of 398.43 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-benzyl-1H-inden-1-yl)-oxosilyl]-tert-butyl-dimethylazanium;titanium is sourced from PubChem (CID 87871084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).