(2E,4E,6S,7R)-7-[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]-N,7-dihydroxy-3,5,6-trimethylhepta-2,4-dienamide

C34H42F17NO5Si — CID 23902554

About (2E,4E,6S,7R)-7-[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]-N,7-dihydroxy-3,5,6-trimethylhepta-2,4-dienamide

(2E,4E,6S,7R)-7-[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]-N,7-dihydroxy-3,5,6-trimethylhepta-2,4-dienamide (PubChem CID 23902554) has the molecular formula C34H42F17NO5Si and a molecular weight of 895.76 g/mol. Its IUPAC name is (2E,4E,6S,7R)-7-[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]-N,7-dihydroxy-3,5,6-trimethylhepta-2,4-dienamide.

Molecular Properties

• Compound Name: (2E,4E,6S,7R)-7-[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]-N,7-dihydroxy-3,5,6-trimethylhepta-2,4-dienamide
• PubChem CID: 23902554
• Molecular Formula: C34H42F17NO5Si
• Molecular Weight: 895.76 g/mol
• Exact Mass: 895.26
• IUPAC Name: (2E,4E,6S,7R)-7-[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]-N,7-dihydroxy-3,5,6-trimethylhepta-2,4-dienamide
• SMILES: CC(=C\C(=O)NO)/C=C(\C)[C@H](C)[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/C34H42F17NO5Si/c1-18(2)58(19(3)4,57-14-13-56-24-10-8-23(9-11-24)26(54)22(7)21(6)16-20(5)17-25(53)52-55)15-12-27(35,36)28(37,38)29(39,40)30(41,42)31(43,44)32(45,46)33(47,48)34(49,50)51/h8-11,16-19,22,26,54-55H,12-15H2,1-7H3,(H,52,53)/b20-17+,21-16+/t22-,26+/m0/s1
• InChIKey: OGLFTPQKBGNCRY-ONCNTJSESA-N
• XLogP: 11.31
• TPSA: 88.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 21
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.76
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6S,7R)-7-[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]-N,7-dihydroxy-3,5,6-trimethylhepta-2,4-dienamide?

The IUPAC name of (2E,4E,6S,7R)-7-[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]-N,7-dihydroxy-3,5,6-trimethylhepta-2,4-dienamide (CID 23902554) is (2E,4E,6S,7R)-7-[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]-N,7-dihydroxy-3,5,6-trimethylhepta-2,4-dienamide.

What is the SMILES notation for (2E,4E,6S,7R)-7-[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]-N,7-dihydroxy-3,5,6-trimethylhepta-2,4-dienamide?

The canonical SMILES for (2E,4E,6S,7R)-7-[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]-N,7-dihydroxy-3,5,6-trimethylhepta-2,4-dienamide is CC(=C\C(=O)NO)/C=C(\C)[C@H](C)[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 (2E,4E,6S,7R)-7-[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]-N,7-dihydroxy-3,5,6-trimethylhepta-2,4-dienamide?

The InChIKey is OGLFTPQKBGNCRY-ONCNTJSESA-N. The full InChI is InChI=1S/C34H42F17NO5Si/c1-18(2)58(19(3)4,57-14-13-56-24-10-8-23(9-11-24)26(54)22(7)21(6)16-20(5)17-25(53)52-55)15-12-27(35,36)28(37,38)29(39,40)30(41,42)31(43,44)32(45,46)33(47,48)34(49,50)51/h8-11,16-19,22,26,54-55H,12-15H2,1-7H3,(H,52,53)/b20-17+,21-16+/t22-,26+/m0/s1.

What are the key properties of (2E,4E,6S,7R)-7-[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]-N,7-dihydroxy-3,5,6-trimethylhepta-2,4-dienamide?

(2E,4E,6S,7R)-7-[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]-N,7-dihydroxy-3,5,6-trimethylhepta-2,4-dienamide has a molecular weight of 895.76 g/mol, XLogP of 11.31, 21 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E,6S,7R)-7-[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]-N,7-dihydroxy-3,5,6-trimethylhepta-2,4-dienamide is sourced from PubChem (CID 23902554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).