[(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate

C26H50O4Si2 — CID 10917850

About [(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate

[(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate (PubChem CID 10917850) has the molecular formula C26H50O4Si2 and a molecular weight of 482.85 g/mol. Its IUPAC name is [(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate.

Molecular Properties

• Compound Name: [(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate
• PubChem CID: 10917850
• Molecular Formula: C26H50O4Si2
• Molecular Weight: 482.85 g/mol
• Exact Mass: 482.32
• IUPAC Name: [(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate
• SMILES: C=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](/C=C/C(=O)O[C@H](C)CC=C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H50O4Si2/c1-14-16-18-22(29-31(10,11)25(4,5)6)23(30-32(12,13)26(7,8)9)19-20-24(27)28-21(3)17-15-2/h14-15,19-23H,1-2,16-18H2,3-13H3/b20-19+/t21-,22+,23-/m1/s1
• InChIKey: LWKPKUISXVZXCV-WWDHVYRZSA-N
• XLogP: 7.80
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.85
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate?

The IUPAC name of [(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate (CID 10917850) is [(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate.

What is the SMILES notation for [(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate?

The canonical SMILES for [(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate is C=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](/C=C/C(=O)O[C@H](C)CC=C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate?

The InChIKey is LWKPKUISXVZXCV-WWDHVYRZSA-N. The full InChI is InChI=1S/C26H50O4Si2/c1-14-16-18-22(29-31(10,11)25(4,5)6)23(30-32(12,13)26(7,8)9)19-20-24(27)28-21(3)17-15-2/h14-15,19-23H,1-2,16-18H2,3-13H3/b20-19+/t21-,22+,23-/m1/s1.

What are the key properties of [(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate?

[(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate has a molecular weight of 482.85 g/mol, XLogP of 7.80, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate is sourced from PubChem (CID 10917850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).