[12-[bis[3,3,4,4,5,5,6,6,7,7,8,9,9,10-tetradecafluoro-12-(2-methylprop-2-enoyloxy)-8,10-bis(trifluoromethyl)dodecoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate;[6-[(6-buta-1,3-dien-2-yloxy-2,2,3,3,4,4,5,5-octafluorohexoxy)-diethylsilyl]oxy-2,2,3,3,4,4,5,5-octafluorohexyl] prop-2-enoate

C85H69F89O14Si2 — CID 160924936

About [12-[bis[3,3,4,4,5,5,6,6,7,7,8,9,9,10-tetradecafluoro-12-(2-methylprop-2-enoyloxy)-8,10-bis(trifluoromethyl)dodecoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate;[6-[(6-buta-1,3-dien-2-yloxy-2,2,3,3,4,4,5,5-octafluorohexoxy)-diethylsilyl]oxy-2,2,3,3,4,4,5,5-octafluorohexyl] prop-2-enoate

[12-[bis[3,3,4,4,5,5,6,6,7,7,8,9,9,10-tetradecafluoro-12-(2-methylprop-2-enoyloxy)-8,10-bis(trifluoromethyl)dodecoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate;[6-[(6-buta-1,3-dien-2-yloxy-2,2,3,3,4,4,5,5-octafluorohexoxy)-diethylsilyl]oxy-2,2,3,3,4,4,5,5-octafluorohexyl] prop-2-enoate (PubChem CID 160924936) has the molecular formula C85H69F89O14Si2 and a molecular weight of 3061.47 g/mol. Its IUPAC name is [12-[bis[3,3,4,4,5,5,6,6,7,7,8,9,9,10-tetradecafluoro-12-(2-methylprop-2-enoyloxy)-8,10-bis(trifluoromethyl)dodecoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate;[6-[(6-buta-1,3-dien-2-yloxy-2,2,3,3,4,4,5,5-octafluorohexoxy)-diethylsilyl]oxy-2,2,3,3,4,4,5,5-octafluorohexyl] prop-2-enoate.

Molecular Properties

• Compound Name: [12-[bis[3,3,4,4,5,5,6,6,7,7,8,9,9,10-tetradecafluoro-12-(2-methylprop-2-enoyloxy)-8,10-bis(trifluoromethyl)dodecoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate;[6-[(6-buta-1,3-dien-2-yloxy-2,2,3,3,4,4,5,5-octafluorohexoxy)-diethylsilyl]oxy-2,2,3,3,4,4,5,5-octafluorohexyl] prop-2-enoate
• PubChem CID: 160924936
• Molecular Formula: C85H69F89O14Si2
• Molecular Weight: 3061.47 g/mol
• Exact Mass: 3060.28
• IUPAC Name: [12-[bis[3,3,4,4,5,5,6,6,7,7,8,9,9,10-tetradecafluoro-12-(2-methylprop-2-enoyloxy)-8,10-bis(trifluoromethyl)dodecoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate;[6-[(6-buta-1,3-dien-2-yloxy-2,2,3,3,4,4,5,5-octafluorohexoxy)-diethylsilyl]oxy-2,2,3,3,4,4,5,5-octafluorohexyl] prop-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](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(CCOC(=O)C(=C)C)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(CCOC(=O)C(=C)C)C(F)(F)F.C=CC(=C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CO[Si](CC)(CC)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C
• InChI: InChI=1S/C62H43F73O9Si.C23H26F16O5Si/c1-21(2)24(136)139-14-7-27(63,56(115,116)117)37(77,78)34(74,59(124,125)126)44(91,92)51(105,106)47(97,98)40(83,84)30(66,67)10-17-142-145(20-13-33(72,73)43(89,90)50(103,104)54(111,112)55(113,114)62(133,134)135,143-18-11-31(68,69)41(85,86)48(99,100)52(107,108)45(93,94)35(75,60(127,128)129)38(79,80)28(64,57(118,119)120)8-15-140-25(137)22(3)4)144-19-12-32(70,71)42(87,88)49(101,102)53(109,110)46(95,96)36(76,61(130,131)132)39(81,82)29(65,58(121,122)123)9-16-141-26(138)23(5)6;1-6-14(5)41-10-16(24,25)20(32,33)22(36,37)18(28,29)12-43-45(8-3,9-4)44-13-19(30,31)23(38,39)21(34,35)17(26,27)11-42-15(40)7-2/h1,3,5,7-20H2,2,4,6H3;6-7H,1-2,5,8-13H2,3-4H3
• InChIKey: SSNBFOQMFHLNBV-UHFFFAOYSA-N
• XLogP: 35.89
• TPSA: 160.58 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 73
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3061.47
LogP ≤ 5	35.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 [12-[bis[3,3,4,4,5,5,6,6,7,7,8,9,9,10-tetradecafluoro-12-(2-methylprop-2-enoyloxy)-8,10-bis(trifluoromethyl)dodecoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate;[6-[(6-buta-1,3-dien-2-yloxy-2,2,3,3,4,4,5,5-octafluorohexoxy)-diethylsilyl]oxy-2,2,3,3,4,4,5,5-octafluorohexyl] prop-2-enoate?

The IUPAC name of [12-[bis[3,3,4,4,5,5,6,6,7,7,8,9,9,10-tetradecafluoro-12-(2-methylprop-2-enoyloxy)-8,10-bis(trifluoromethyl)dodecoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate;[6-[(6-buta-1,3-dien-2-yloxy-2,2,3,3,4,4,5,5-octafluorohexoxy)-diethylsilyl]oxy-2,2,3,3,4,4,5,5-octafluorohexyl] prop-2-enoate (CID 160924936) is [12-[bis[3,3,4,4,5,5,6,6,7,7,8,9,9,10-tetradecafluoro-12-(2-methylprop-2-enoyloxy)-8,10-bis(trifluoromethyl)dodecoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate;[6-[(6-buta-1,3-dien-2-yloxy-2,2,3,3,4,4,5,5-octafluorohexoxy)-diethylsilyl]oxy-2,2,3,3,4,4,5,5-octafluorohexyl] prop-2-enoate.

What is the SMILES notation for [12-[bis[3,3,4,4,5,5,6,6,7,7,8,9,9,10-tetradecafluoro-12-(2-methylprop-2-enoyloxy)-8,10-bis(trifluoromethyl)dodecoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate;[6-[(6-buta-1,3-dien-2-yloxy-2,2,3,3,4,4,5,5-octafluorohexoxy)-diethylsilyl]oxy-2,2,3,3,4,4,5,5-octafluorohexyl] prop-2-enoate?

The canonical SMILES for [12-[bis[3,3,4,4,5,5,6,6,7,7,8,9,9,10-tetradecafluoro-12-(2-methylprop-2-enoyloxy)-8,10-bis(trifluoromethyl)dodecoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate;[6-[(6-buta-1,3-dien-2-yloxy-2,2,3,3,4,4,5,5-octafluorohexoxy)-diethylsilyl]oxy-2,2,3,3,4,4,5,5-octafluorohexyl] prop-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](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(CCOC(=O)C(=C)C)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(CCOC(=O)C(=C)C)C(F)(F)F.C=CC(=C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CO[Si](CC)(CC)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C.

What is the InChIKey of [12-[bis[3,3,4,4,5,5,6,6,7,7,8,9,9,10-tetradecafluoro-12-(2-methylprop-2-enoyloxy)-8,10-bis(trifluoromethyl)dodecoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate;[6-[(6-buta-1,3-dien-2-yloxy-2,2,3,3,4,4,5,5-octafluorohexoxy)-diethylsilyl]oxy-2,2,3,3,4,4,5,5-octafluorohexyl] prop-2-enoate?

The InChIKey is SSNBFOQMFHLNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43F73O9Si.C23H26F16O5Si/c1-21(2)24(136)139-14-7-27(63,56(115,116)117)37(77,78)34(74,59(124,125)126)44(91,92)51(105,106)47(97,98)40(83,84)30(66,67)10-17-142-145(20-13-33(72,73)43(89,90)50(103,104)54(111,112)55(113,114)62(133,134)135,143-18-11-31(68,69)41(85,86)48(99,100)52(107,108)45(93,94)35(75,60(127,128)129)38(79,80)28(64,57(118,119)120)8-15-140-25(137)22(3)4)144-19-12-32(70,71)42(87,88)49(101,102)53(109,110)46(95,96)36(76,61(130,131)132)39(81,82)29(65,58(121,122)123)9-16-141-26(138)23(5)6;1-6-14(5)41-10-16(24,25)20(32,33)22(36,37)18(28,29)12-43-45(8-3,9-4)44-13-19(30,31)23(38,39)21(34,35)17(26,27)11-42-15(40)7-2/h1,3,5,7-20H2,2,4,6H3;6-7H,1-2,5,8-13H2,3-4H3.

What are the key properties of [12-[bis[3,3,4,4,5,5,6,6,7,7,8,9,9,10-tetradecafluoro-12-(2-methylprop-2-enoyloxy)-8,10-bis(trifluoromethyl)dodecoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate;[6-[(6-buta-1,3-dien-2-yloxy-2,2,3,3,4,4,5,5-octafluorohexoxy)-diethylsilyl]oxy-2,2,3,3,4,4,5,5-octafluorohexyl] prop-2-enoate?

[12-[bis[3,3,4,4,5,5,6,6,7,7,8,9,9,10-tetradecafluoro-12-(2-methylprop-2-enoyloxy)-8,10-bis(trifluoromethyl)dodecoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate;[6-[(6-buta-1,3-dien-2-yloxy-2,2,3,3,4,4,5,5-octafluorohexoxy)-diethylsilyl]oxy-2,2,3,3,4,4,5,5-octafluorohexyl] prop-2-enoate has a molecular weight of 3061.47 g/mol, XLogP of 35.89, 73 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [12-[bis[3,3,4,4,5,5,6,6,7,7,8,9,9,10-tetradecafluoro-12-(2-methylprop-2-enoyloxy)-8,10-bis(trifluoromethyl)dodecoxy]-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]oxy-3,4,4,5,6,6,7,7,8,8,9,9,10,10-tetradecafluoro-3,5-bis(trifluoromethyl)dodecyl] 2-methylprop-2-enoate;[6-[(6-buta-1,3-dien-2-yloxy-2,2,3,3,4,4,5,5-octafluorohexoxy)-diethylsilyl]oxy-2,2,3,3,4,4,5,5-octafluorohexyl] prop-2-enoate is sourced from PubChem (CID 160924936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).