(2E,4E,7S,8S)-8-[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,8-dihydroxy-7-methylocta-2,4-dienamide

C33H40F17NO5Si — CID 23902556

About (2E,4E,7S,8S)-8-[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,8-dihydroxy-7-methylocta-2,4-dienamide

(2E,4E,7S,8S)-8-[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,8-dihydroxy-7-methylocta-2,4-dienamide (PubChem CID 23902556) has the molecular formula C33H40F17NO5Si and a molecular weight of 881.74 g/mol. Its IUPAC name is (2E,4E,7S,8S)-8-[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,8-dihydroxy-7-methylocta-2,4-dienamide.

Molecular Properties

• Compound Name: (2E,4E,7S,8S)-8-[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,8-dihydroxy-7-methylocta-2,4-dienamide
• PubChem CID: 23902556
• Molecular Formula: C33H40F17NO5Si
• Molecular Weight: 881.74 g/mol
• Exact Mass: 881.24
• IUPAC Name: (2E,4E,7S,8S)-8-[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,8-dihydroxy-7-methylocta-2,4-dienamide
• SMILES: CC(C)[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)(OCCOc1ccc([C@@H](O)[C@@H](C)C/C=C/C=C/C(=O)NO)cc1)C(C)C
• InChI: InChI=1S/C33H40F17NO5Si/c1-19(2)57(20(3)4,56-17-16-55-23-13-11-22(12-14-23)25(53)21(5)9-7-6-8-10-24(52)51-54)18-15-26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)32(46,47)33(48,49)50/h6-8,10-14,19-21,25,53-54H,9,15-18H2,1-5H3,(H,51,52)/b7-6+,10-8+/t21-,25-/m0/s1
• InChIKey: NXHPKPPIZRTVBM-DPVLQVDISA-N
• XLogP: 10.92
• TPSA: 88.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 22
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.74
LogP ≤ 5	10.92
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,7S,8S)-8-[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,8-dihydroxy-7-methylocta-2,4-dienamide?

The IUPAC name of (2E,4E,7S,8S)-8-[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,8-dihydroxy-7-methylocta-2,4-dienamide (CID 23902556) is (2E,4E,7S,8S)-8-[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,8-dihydroxy-7-methylocta-2,4-dienamide.

What is the SMILES notation for (2E,4E,7S,8S)-8-[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,8-dihydroxy-7-methylocta-2,4-dienamide?

The canonical SMILES for (2E,4E,7S,8S)-8-[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,8-dihydroxy-7-methylocta-2,4-dienamide is CC(C)[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)(OCCOc1ccc([C@@H](O)[C@@H](C)C/C=C/C=C/C(=O)NO)cc1)C(C)C.

What is the InChIKey of (2E,4E,7S,8S)-8-[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,8-dihydroxy-7-methylocta-2,4-dienamide?

The InChIKey is NXHPKPPIZRTVBM-DPVLQVDISA-N. The full InChI is InChI=1S/C33H40F17NO5Si/c1-19(2)57(20(3)4,56-17-16-55-23-13-11-22(12-14-23)25(53)21(5)9-7-6-8-10-24(52)51-54)18-15-26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)32(46,47)33(48,49)50/h6-8,10-14,19-21,25,53-54H,9,15-18H2,1-5H3,(H,51,52)/b7-6+,10-8+/t21-,25-/m0/s1.

What are the key properties of (2E,4E,7S,8S)-8-[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,8-dihydroxy-7-methylocta-2,4-dienamide?

(2E,4E,7S,8S)-8-[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,8-dihydroxy-7-methylocta-2,4-dienamide has a molecular weight of 881.74 g/mol, XLogP of 10.92, 22 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E,7S,8S)-8-[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,8-dihydroxy-7-methylocta-2,4-dienamide is sourced from PubChem (CID 23902556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).