butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+)

C47H66SiTi — CID 150069937

About butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+)

butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+) (PubChem CID 150069937) has the molecular formula C47H66SiTi and a molecular weight of 707.00 g/mol. Its IUPAC name is butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+).

Molecular Properties

• Compound Name: butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+)
• PubChem CID: 150069937
• Molecular Formula: C47H66SiTi
• Molecular Weight: 707.00 g/mol
• Exact Mass: 706.44
• IUPAC Name: butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+)
• SMILES: C[CH-]CCC(=[SiH2])c1ccccc1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.[CH2-]CCC.[Ti+4]
• InChI: InChI=1S/2C16H21.C11H15Si.C4H9.Ti/c2*1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;1-2-3-9-11(12)10-7-5-4-6-8-10;1-3-4-2;/h2*6-11H,1-5H3;2,4-8H,3,9,12H2,1H3;1,3-4H2,2H3;/q4*-1;+4
• InChIKey: DPBGGMUSMVHNQB-UHFFFAOYSA-N
• XLogP: 13.69
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.00
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+)?

The IUPAC name of butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+) (CID 150069937) is butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+).

What is the SMILES notation for butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+)?

The canonical SMILES for butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+) is C[CH-]CCC(=[SiH2])c1ccccc1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.[CH2-]CCC.[Ti+4].

What is the InChIKey of butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+)?

The InChIKey is DPBGGMUSMVHNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H21.C11H15Si.C4H9.Ti/c2*1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;1-2-3-9-11(12)10-7-5-4-6-8-10;1-3-4-2;/h2*6-11H,1-5H3;2,4-8H,3,9,12H2,1H3;1,3-4H2,2H3;/q4*-1;+4.

What are the key properties of butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+)?

butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+) has a molecular weight of 707.00 g/mol, XLogP of 13.69, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+) is sourced from PubChem (CID 150069937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).