trimethyl-[[7,7,8,8-tetramethyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonan-5-yl]oxy]silane

C15H21F12O5PSi — CID 14022721

About trimethyl-[[7,7,8,8-tetramethyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonan-5-yl]oxy]silane

trimethyl-[[7,7,8,8-tetramethyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonan-5-yl]oxy]silane (PubChem CID 14022721) has the molecular formula C15H21F12O5PSi and a molecular weight of 568.36 g/mol. Its IUPAC name is trimethyl-[[7,7,8,8-tetramethyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonan-5-yl]oxy]silane.

Molecular Properties

• Compound Name: trimethyl-[[7,7,8,8-tetramethyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonan-5-yl]oxy]silane
• PubChem CID: 14022721
• Molecular Formula: C15H21F12O5PSi
• Molecular Weight: 568.36 g/mol
• Exact Mass: 568.07
• IUPAC Name: trimethyl-[[7,7,8,8-tetramethyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonan-5-yl]oxy]silane
• SMILES: CC1(C)OP2(O[Si](C)(C)C)(OC1(C)C)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O2
• InChI: InChI=1S/C15H21F12O5PSi/c1-8(2)9(3,4)29-33(28-8,32-34(5,6)7)30-10(12(16,17)18,13(19,20)21)11(31-33,14(22,23)24)15(25,26)27/h1-7H3
• InChIKey: WBBOGHQCRJYZLO-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.36
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[7,7,8,8-tetramethyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonan-5-yl]oxy]silane?

The IUPAC name of trimethyl-[[7,7,8,8-tetramethyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonan-5-yl]oxy]silane (CID 14022721) is trimethyl-[[7,7,8,8-tetramethyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonan-5-yl]oxy]silane.

What is the SMILES notation for trimethyl-[[7,7,8,8-tetramethyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonan-5-yl]oxy]silane?

The canonical SMILES for trimethyl-[[7,7,8,8-tetramethyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonan-5-yl]oxy]silane is CC1(C)OP2(O[Si](C)(C)C)(OC1(C)C)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O2.

What is the InChIKey of trimethyl-[[7,7,8,8-tetramethyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonan-5-yl]oxy]silane?

The InChIKey is WBBOGHQCRJYZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F12O5PSi/c1-8(2)9(3,4)29-33(28-8,32-34(5,6)7)30-10(12(16,17)18,13(19,20)21)11(31-33,14(22,23)24)15(25,26)27/h1-7H3.

What are the key properties of trimethyl-[[7,7,8,8-tetramethyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonan-5-yl]oxy]silane?

trimethyl-[[7,7,8,8-tetramethyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonan-5-yl]oxy]silane has a molecular weight of 568.36 g/mol, XLogP of 7.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[[7,7,8,8-tetramethyl-2,2,3,3-tetrakis(trifluoromethyl)-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonan-5-yl]oxy]silane is sourced from PubChem (CID 14022721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).