tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane

C24H46Cl2N2SiTi-2 — CID 58582252

About tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane

tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane (PubChem CID 58582252) has the molecular formula C24H46Cl2N2SiTi-2 and a molecular weight of 509.51 g/mol. Its IUPAC name is tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane.

Molecular Properties

• Compound Name: tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane
• PubChem CID: 58582252
• Molecular Formula: C24H46Cl2N2SiTi-2
• Molecular Weight: 509.51 g/mol
• Exact Mass: 508.23
• IUPAC Name: tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane
• SMILES: CN1C2CCCCC2C2C1C1CCCCC1C2[Si](C)(C)[N-]C(C)(C)C.Cl[Ti]Cl.[CH2-]C
• InChI: InChI=1S/C22H41N2Si.C2H5.2ClH.Ti/c1-22(2,3)23-25(5,6)21-16-12-8-7-11-15(16)20-19(21)17-13-9-10-14-18(17)24(20)4;1-2;;;/h15-21H,7-14H2,1-6H3;1H2,2H3;2*1H;/q2*-1;;;+2/p-2
• InChIKey: HJODVKZEMLQSIF-UHFFFAOYSA-L
• XLogP: 8.26
• TPSA: 17.34 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.51
LogP ≤ 5	8.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane?

The IUPAC name of tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane (CID 58582252) is tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane.

What is the SMILES notation for tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane?

The canonical SMILES for tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane is CN1C2CCCCC2C2C1C1CCCCC1C2[Si](C)(C)[N-]C(C)(C)C.Cl[Ti]Cl.[CH2-]C.

What is the InChIKey of tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane?

The InChIKey is HJODVKZEMLQSIF-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H41N2Si.C2H5.2ClH.Ti/c1-22(2,3)23-25(5,6)21-16-12-8-7-11-15(16)20-19(21)17-13-9-10-14-18(17)24(20)4;1-2;;;/h15-21H,7-14H2,1-6H3;1H2,2H3;2*1H;/q2*-1;;;+2/p-2.

What are the key properties of tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane?

tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane has a molecular weight of 509.51 g/mol, XLogP of 8.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane is sourced from PubChem (CID 58582252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).