ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane

C32H15F51Si — CID 101381950

About ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane

ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane (PubChem CID 101381950) has the molecular formula C32H15F51Si and a molecular weight of 1396.46 g/mol. Its IUPAC name is ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane.

Molecular Properties

• Compound Name: ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
• PubChem CID: 101381950
• Molecular Formula: C32H15F51Si
• Molecular Weight: 1396.46 g/mol
• Exact Mass: 1396.01
• IUPAC Name: ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
• SMILES: C=C[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C32H15F51Si/c1-2-84(6-3-9(33,34)12(39,40)15(45,46)18(51,52)21(57,58)24(63,64)27(69,70)30(75,76)77,7-4-10(35,36)13(41,42)16(47,48)19(53,54)22(59,60)25(65,66)28(71,72)31(78,79)80)8-5-11(37,38)14(43,44)17(49,50)20(55,56)23(61,62)26(67,68)29(73,74)32(81,82)83/h2H,1,3-8H2
• InChIKey: ZKMSFGMVOLHCEV-UHFFFAOYSA-N
• XLogP: 19.36
• TPSA: 0.00 Ų
• Rotatable Bonds: 28
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1396.46
LogP ≤ 5	19.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane?

The IUPAC name of ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane (CID 101381950) is ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane.

What is the SMILES notation for ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane?

The canonical SMILES for ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane is C=C[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane?

The InChIKey is ZKMSFGMVOLHCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H15F51Si/c1-2-84(6-3-9(33,34)12(39,40)15(45,46)18(51,52)21(57,58)24(63,64)27(69,70)30(75,76)77,7-4-10(35,36)13(41,42)16(47,48)19(53,54)22(59,60)25(65,66)28(71,72)31(78,79)80)8-5-11(37,38)14(43,44)17(49,50)20(55,56)23(61,62)26(67,68)29(73,74)32(81,82)83/h2H,1,3-8H2.

What are the key properties of ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane?

ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane has a molecular weight of 1396.46 g/mol, XLogP of 19.36, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for ethenyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane is sourced from PubChem (CID 101381950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).