[3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;bis(propan-2-olate);propan-2-ylphosphane;titanium(2+)

C24H54O2P2Ti — CID 173289448

About [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;bis(propan-2-olate);propan-2-ylphosphane;titanium(2+)

[3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;bis(propan-2-olate);propan-2-ylphosphane;titanium(2+) (PubChem CID 173289448) has the molecular formula C24H54O2P2Ti and a molecular weight of 484.51 g/mol. Its IUPAC name is [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;bis(propan-2-olate);propan-2-ylphosphane;titanium(2+).

Molecular Properties

• Compound Name: [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;bis(propan-2-olate);propan-2-ylphosphane;titanium(2+)
• PubChem CID: 173289448
• Molecular Formula: C24H54O2P2Ti
• Molecular Weight: 484.51 g/mol
• Exact Mass: 484.31
• IUPAC Name: [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;bis(propan-2-olate);propan-2-ylphosphane;titanium(2+)
• SMILES: CC(C)P.CC(C)PC1CCCC(C(C)C)(C(C)C)C1.CC(C)[O-].CC(C)[O-].[Ti+2]
• InChI: InChI=1S/C15H31P.2C3H7O.C3H9P.Ti/c1-11(2)15(12(3)4)9-7-8-14(10-15)16-13(5)6;3*1-3(2)4;/h11-14,16H,7-10H2,1-6H3;2*3H,1-2H3;3H,4H2,1-2H3;/q;2*-1;;+2
• InChIKey: KTUWJIJXKNEZHE-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 46.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.51
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;bis(propan-2-olate);propan-2-ylphosphane;titanium(2+)?

The IUPAC name of [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;bis(propan-2-olate);propan-2-ylphosphane;titanium(2+) (CID 173289448) is [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;bis(propan-2-olate);propan-2-ylphosphane;titanium(2+).

What is the SMILES notation for [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;bis(propan-2-olate);propan-2-ylphosphane;titanium(2+)?

The canonical SMILES for [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;bis(propan-2-olate);propan-2-ylphosphane;titanium(2+) is CC(C)P.CC(C)PC1CCCC(C(C)C)(C(C)C)C1.CC(C)[O-].CC(C)[O-].[Ti+2].

What is the InChIKey of [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;bis(propan-2-olate);propan-2-ylphosphane;titanium(2+)?

The InChIKey is KTUWJIJXKNEZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31P.2C3H7O.C3H9P.Ti/c1-11(2)15(12(3)4)9-7-8-14(10-15)16-13(5)6;3*1-3(2)4;/h11-14,16H,7-10H2,1-6H3;2*3H,1-2H3;3H,4H2,1-2H3;/q;2*-1;;+2.

What are the key properties of [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;bis(propan-2-olate);propan-2-ylphosphane;titanium(2+)?

[3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;bis(propan-2-olate);propan-2-ylphosphane;titanium(2+) has a molecular weight of 484.51 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3,3-di(propan-2-yl)cyclohexyl]-propan-2-ylphosphane;bis(propan-2-olate);propan-2-ylphosphane;titanium(2+) is sourced from PubChem (CID 173289448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).