[3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-12-triethylsilyloxy-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate

C24H28F20O3Si — CID 89272589

About [3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-12-triethylsilyloxy-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate

[3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-12-triethylsilyloxy-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate (PubChem CID 89272589) has the molecular formula C24H28F20O3Si and a molecular weight of 772.53 g/mol. Its IUPAC name is [3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-12-triethylsilyloxy-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-12-triethylsilyloxy-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate
• PubChem CID: 89272589
• Molecular Formula: C24H28F20O3Si
• Molecular Weight: 772.53 g/mol
• Exact Mass: 772.15
• IUPAC Name: [3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-12-triethylsilyloxy-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCCC(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCO[Si](CC)(CC)CC
• InChI: InChI=1S/C24H28F20O3Si/c1-6-48(7-2,8-3)47-12-10-16(26,27)19(31,32)21(35,36)22(37,38)20(33,34)17(28,24(42,43)44)18(29,30)15(25,23(39,40)41)9-11-46-14(45)13(4)5/h4,6-12H2,1-3,5H3
• InChIKey: GDODVMLXFMJCRU-UHFFFAOYSA-N
• XLogP: 10.26
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 18
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.53
LogP ≤ 5	10.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-12-triethylsilyloxy-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate?

The IUPAC name of [3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-12-triethylsilyloxy-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate (CID 89272589) is [3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-12-triethylsilyloxy-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate.

What is the SMILES notation for [3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-12-triethylsilyloxy-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate?

The canonical SMILES for [3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-12-triethylsilyloxy-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCO[Si](CC)(CC)CC.

What is the InChIKey of [3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-12-triethylsilyloxy-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate?

The InChIKey is GDODVMLXFMJCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F20O3Si/c1-6-48(7-2,8-3)47-12-10-16(26,27)19(31,32)21(35,36)22(37,38)20(33,34)17(28,24(42,43)44)18(29,30)15(25,23(39,40)41)9-11-46-14(45)13(4)5/h4,6-12H2,1-3,5H3.

What are the key properties of [3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-12-triethylsilyloxy-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate?

[3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-12-triethylsilyloxy-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate has a molecular weight of 772.53 g/mol, XLogP of 10.26, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-12-triethylsilyloxy-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate is sourced from PubChem (CID 89272589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).