N-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride

C19H30Cl2NO2Si2Ti — CID 87936559

IUPACN-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride
SMILESCCO[Si]1(C)c2[cH-]c3ccc(O[Si](C)(C)C)c(NC(C)(C)C)c3c21.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C19H30NO2Si2.2ClH.Ti/c1-9-21-24(8)15-12-13-10-11-14(22-23(5,6)7)17(16(13)18(15)24)20-19(2,3)4;;;/h10-12,20H,9H2,1-8H3;2*1H;/q-1;;;+3/p-2
InChIKeyAJGOWHLAPKJRSI-UHFFFAOYSA-L
MW479.40 g/mol
LogP-1.97
Rot. Bonds5

About N-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride

N-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride (PubChem CID 87936559) has the molecular formula C19H30Cl2NO2Si2Ti and a molecular weight of 479.40 g/mol. Its IUPAC name is N-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride.

Molecular Properties

Compound NameN-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride
PubChem CID87936559
Molecular FormulaC19H30Cl2NO2Si2Ti
Molecular Weight479.40 g/mol
Exact Mass478.07
IUPAC NameN-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride
SMILESCCO[Si]1(C)c2[cH-]c3ccc(O[Si](C)(C)C)c(NC(C)(C)C)c3c21.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C19H30NO2Si2.2ClH.Ti/c1-9-21-24(8)15-12-13-10-11-14(22-23(5,6)7)17(16(13)18(15)24)20-19(2,3)4;;;/h10-12,20H,9H2,1-8H3;2*1H;/q-1;;;+3/p-2
InChIKeyAJGOWHLAPKJRSI-UHFFFAOYSA-L
XLogP-1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.40
LogP ≤ 5-1.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride?
The IUPAC name of N-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride (CID 87936559) is N-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride.
What is the SMILES notation for N-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride?
The canonical SMILES for N-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride is CCO[Si]1(C)c2[cH-]c3ccc(O[Si](C)(C)C)c(NC(C)(C)C)c3c21.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of N-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride?
The InChIKey is AJGOWHLAPKJRSI-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H30NO2Si2.2ClH.Ti/c1-9-21-24(8)15-12-13-10-11-14(22-23(5,6)7)17(16(13)18(15)24)20-19(2,3)4;;;/h10-12,20H,9H2,1-8H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of N-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride?
N-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride has a molecular weight of 479.40 g/mol, XLogP of -1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-ethoxy-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;titanium(3+);dichloride is sourced from PubChem (CID 87936559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).