ethyl (E,4S,5S)-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-hydroxy-4-methoxy-2,3-dimethylpent-2-enoate

C34H43F17O6Si — CID 23846754

About ethyl (E,4S,5S)-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-hydroxy-4-methoxy-2,3-dimethylpent-2-enoate

ethyl (E,4S,5S)-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-hydroxy-4-methoxy-2,3-dimethylpent-2-enoate (PubChem CID 23846754) has the molecular formula C34H43F17O6Si and a molecular weight of 898.76 g/mol. Its IUPAC name is ethyl (E,4S,5S)-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-hydroxy-4-methoxy-2,3-dimethylpent-2-enoate.

Molecular Properties

• Compound Name: ethyl (E,4S,5S)-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-hydroxy-4-methoxy-2,3-dimethylpent-2-enoate
• PubChem CID: 23846754
• Molecular Formula: C34H43F17O6Si
• Molecular Weight: 898.76 g/mol
• Exact Mass: 898.26
• IUPAC Name: ethyl (E,4S,5S)-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-hydroxy-4-methoxy-2,3-dimethylpent-2-enoate
• SMILES: CCOC(=O)/C(C)=C(\C)[C@H](OC)[C@@H](O)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/C34H43F17O6Si/c1-9-55-26(53)21(7)20(6)25(54-8)24(52)22-10-12-23(13-11-22)56-15-16-57-58(18(2)3,19(4)5)17-14-27(35,36)28(37,38)29(39,40)30(41,42)31(43,44)32(45,46)33(47,48)34(49,50)51/h10-13,18-19,24-25,52H,9,14-17H2,1-8H3/b21-20+/t24-,25-/m0/s1
• InChIKey: PMAMYONYJBWHLR-KOAJBDOBSA-N
• XLogP: 11.19
• TPSA: 74.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 22
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	898.76
LogP ≤ 5	11.19
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4S,5S)-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-hydroxy-4-methoxy-2,3-dimethylpent-2-enoate?

The IUPAC name of ethyl (E,4S,5S)-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-hydroxy-4-methoxy-2,3-dimethylpent-2-enoate (CID 23846754) is ethyl (E,4S,5S)-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-hydroxy-4-methoxy-2,3-dimethylpent-2-enoate.

What is the SMILES notation for ethyl (E,4S,5S)-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-hydroxy-4-methoxy-2,3-dimethylpent-2-enoate?

The canonical SMILES for ethyl (E,4S,5S)-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-hydroxy-4-methoxy-2,3-dimethylpent-2-enoate is CCOC(=O)/C(C)=C(\C)[C@H](OC)[C@@H](O)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 ethyl (E,4S,5S)-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-hydroxy-4-methoxy-2,3-dimethylpent-2-enoate?

The InChIKey is PMAMYONYJBWHLR-KOAJBDOBSA-N. The full InChI is InChI=1S/C34H43F17O6Si/c1-9-55-26(53)21(7)20(6)25(54-8)24(52)22-10-12-23(13-11-22)56-15-16-57-58(18(2)3,19(4)5)17-14-27(35,36)28(37,38)29(39,40)30(41,42)31(43,44)32(45,46)33(47,48)34(49,50)51/h10-13,18-19,24-25,52H,9,14-17H2,1-8H3/b21-20+/t24-,25-/m0/s1.

What are the key properties of ethyl (E,4S,5S)-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-hydroxy-4-methoxy-2,3-dimethylpent-2-enoate?

ethyl (E,4S,5S)-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-hydroxy-4-methoxy-2,3-dimethylpent-2-enoate has a molecular weight of 898.76 g/mol, XLogP of 11.19, 22 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (E,4S,5S)-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-hydroxy-4-methoxy-2,3-dimethylpent-2-enoate is sourced from PubChem (CID 23846754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).