prop-2-enyl (E,5R)-5-[(2,4-difluorophenyl)carbamoyloxy]-5-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-3-methylpent-2-enoate

C40H42F19NO6Si — CID 23902466

About prop-2-enyl (E,5R)-5-[(2,4-difluorophenyl)carbamoyloxy]-5-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-3-methylpent-2-enoate

prop-2-enyl (E,5R)-5-[(2,4-difluorophenyl)carbamoyloxy]-5-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-3-methylpent-2-enoate (PubChem CID 23902466) has the molecular formula C40H42F19NO6Si and a molecular weight of 1021.82 g/mol. Its IUPAC name is prop-2-enyl (E,5R)-5-[(2,4-difluorophenyl)carbamoyloxy]-5-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-3-methylpent-2-enoate.

Molecular Properties

• Compound Name: prop-2-enyl (E,5R)-5-[(2,4-difluorophenyl)carbamoyloxy]-5-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-3-methylpent-2-enoate
• PubChem CID: 23902466
• Molecular Formula: C40H42F19NO6Si
• Molecular Weight: 1021.82 g/mol
• Exact Mass: 1021.25
• IUPAC Name: prop-2-enyl (E,5R)-5-[(2,4-difluorophenyl)carbamoyloxy]-5-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-3-methylpent-2-enoate
• SMILES: C=CCOC(=O)/C=C(\C)C[C@@H](OC(=O)Nc1ccc(F)cc1F)c1ccc(OCCO[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)(C(C)C)C(C)C)cc1
• InChI: InChI=1S/C40H42F19NO6Si/c1-7-15-64-31(61)20-24(6)19-30(66-32(62)60-29-13-10-26(41)21-28(29)42)25-8-11-27(12-9-25)63-16-17-65-67(22(2)3,23(4)5)18-14-33(43,44)34(45,46)35(47,48)36(49,50)37(51,52)38(53,54)39(55,56)40(57,58)59/h7-13,20-23,30H,1,14-19H2,2-6H3,(H,60,62)/b24-20+/t30-/m1/s1
• InChIKey: GQNVCIQEJJJGBS-AOFVFENRSA-N
• XLogP: 13.88
• TPSA: 83.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 24
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.82
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 prop-2-enyl (E,5R)-5-[(2,4-difluorophenyl)carbamoyloxy]-5-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-3-methylpent-2-enoate?

The IUPAC name of prop-2-enyl (E,5R)-5-[(2,4-difluorophenyl)carbamoyloxy]-5-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-3-methylpent-2-enoate (CID 23902466) is prop-2-enyl (E,5R)-5-[(2,4-difluorophenyl)carbamoyloxy]-5-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-3-methylpent-2-enoate.

What is the SMILES notation for prop-2-enyl (E,5R)-5-[(2,4-difluorophenyl)carbamoyloxy]-5-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-3-methylpent-2-enoate?

The canonical SMILES for prop-2-enyl (E,5R)-5-[(2,4-difluorophenyl)carbamoyloxy]-5-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-3-methylpent-2-enoate is C=CCOC(=O)/C=C(\C)C[C@@H](OC(=O)Nc1ccc(F)cc1F)c1ccc(OCCO[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)(C(C)C)C(C)C)cc1.

What is the InChIKey of prop-2-enyl (E,5R)-5-[(2,4-difluorophenyl)carbamoyloxy]-5-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-3-methylpent-2-enoate?

The InChIKey is GQNVCIQEJJJGBS-AOFVFENRSA-N. The full InChI is InChI=1S/C40H42F19NO6Si/c1-7-15-64-31(61)20-24(6)19-30(66-32(62)60-29-13-10-26(41)21-28(29)42)25-8-11-27(12-9-25)63-16-17-65-67(22(2)3,23(4)5)18-14-33(43,44)34(45,46)35(47,48)36(49,50)37(51,52)38(53,54)39(55,56)40(57,58)59/h7-13,20-23,30H,1,14-19H2,2-6H3,(H,60,62)/b24-20+/t30-/m1/s1.

What are the key properties of prop-2-enyl (E,5R)-5-[(2,4-difluorophenyl)carbamoyloxy]-5-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-3-methylpent-2-enoate?

prop-2-enyl (E,5R)-5-[(2,4-difluorophenyl)carbamoyloxy]-5-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-3-methylpent-2-enoate has a molecular weight of 1021.82 g/mol, XLogP of 13.88, 24 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl (E,5R)-5-[(2,4-difluorophenyl)carbamoyloxy]-5-[4-[2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-di(propan-2-yl)silyl]oxyethoxy]phenyl]-3-methylpent-2-enoate is sourced from PubChem (CID 23902466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).