prop-2-enyl (E,4R,5R)-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]-5-[(4-methoxyphenyl)carbamoyloxy]-3,4-dimethylpent-2-enoate

C42H48F17NO7Si — CID 23760254

About prop-2-enyl (E,4R,5R)-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]-5-[(4-methoxyphenyl)carbamoyloxy]-3,4-dimethylpent-2-enoate

prop-2-enyl (E,4R,5R)-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]-5-[(4-methoxyphenyl)carbamoyloxy]-3,4-dimethylpent-2-enoate (PubChem CID 23760254) has the molecular formula C42H48F17NO7Si and a molecular weight of 1029.90 g/mol. Its IUPAC name is prop-2-enyl (E,4R,5R)-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]-5-[(4-methoxyphenyl)carbamoyloxy]-3,4-dimethylpent-2-enoate.

Molecular Properties

• Compound Name: prop-2-enyl (E,4R,5R)-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]-5-[(4-methoxyphenyl)carbamoyloxy]-3,4-dimethylpent-2-enoate
• PubChem CID: 23760254
• Molecular Formula: C42H48F17NO7Si
• Molecular Weight: 1029.90 g/mol
• Exact Mass: 1029.29
• IUPAC Name: prop-2-enyl (E,4R,5R)-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]-5-[(4-methoxyphenyl)carbamoyloxy]-3,4-dimethylpent-2-enoate
• SMILES: C=CCOC(=O)/C=C(\C)[C@@H](C)[C@@H](OC(=O)Nc1ccc(OC)cc1)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/C42H48F17NO7Si/c1-9-19-65-32(61)23-26(6)27(7)33(67-34(62)60-29-12-16-30(63-8)17-13-29)28-10-14-31(15-11-28)64-20-21-66-68(24(2)3,25(4)5)22-18-35(43,44)36(45,46)37(47,48)38(49,50)39(51,52)40(53,54)41(55,56)42(57,58)59/h9-17,23-25,27,33H,1,18-22H2,2-8H3,(H,60,62)/b26-23+/t27-,33-/m1/s1
• InChIKey: ZWTZFRZMBQIJNI-LAYOSSPMSA-N
• XLogP: 13.86
• TPSA: 92.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 25
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.90
LogP ≤ 5	13.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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,4R,5R)-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]-5-[(4-methoxyphenyl)carbamoyloxy]-3,4-dimethylpent-2-enoate?

The IUPAC name of prop-2-enyl (E,4R,5R)-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]-5-[(4-methoxyphenyl)carbamoyloxy]-3,4-dimethylpent-2-enoate (CID 23760254) is prop-2-enyl (E,4R,5R)-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]-5-[(4-methoxyphenyl)carbamoyloxy]-3,4-dimethylpent-2-enoate.

What is the SMILES notation for prop-2-enyl (E,4R,5R)-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]-5-[(4-methoxyphenyl)carbamoyloxy]-3,4-dimethylpent-2-enoate?

The canonical SMILES for prop-2-enyl (E,4R,5R)-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]-5-[(4-methoxyphenyl)carbamoyloxy]-3,4-dimethylpent-2-enoate is C=CCOC(=O)/C=C(\C)[C@@H](C)[C@@H](OC(=O)Nc1ccc(OC)cc1)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,4R,5R)-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]-5-[(4-methoxyphenyl)carbamoyloxy]-3,4-dimethylpent-2-enoate?

The InChIKey is ZWTZFRZMBQIJNI-LAYOSSPMSA-N. The full InChI is InChI=1S/C42H48F17NO7Si/c1-9-19-65-32(61)23-26(6)27(7)33(67-34(62)60-29-12-16-30(63-8)17-13-29)28-10-14-31(15-11-28)64-20-21-66-68(24(2)3,25(4)5)22-18-35(43,44)36(45,46)37(47,48)38(49,50)39(51,52)40(53,54)41(55,56)42(57,58)59/h9-17,23-25,27,33H,1,18-22H2,2-8H3,(H,60,62)/b26-23+/t27-,33-/m1/s1.

What are the key properties of prop-2-enyl (E,4R,5R)-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]-5-[(4-methoxyphenyl)carbamoyloxy]-3,4-dimethylpent-2-enoate?

prop-2-enyl (E,4R,5R)-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]-5-[(4-methoxyphenyl)carbamoyloxy]-3,4-dimethylpent-2-enoate has a molecular weight of 1029.90 g/mol, XLogP of 13.86, 25 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl (E,4R,5R)-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]-5-[(4-methoxyphenyl)carbamoyloxy]-3,4-dimethylpent-2-enoate is sourced from PubChem (CID 23760254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).