propan-2-yl (2E,4S,5S,6E)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate

C24H48O4Si2 — CID 11282503

About propan-2-yl (2E,4S,5S,6E)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate

propan-2-yl (2E,4S,5S,6E)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate (PubChem CID 11282503) has the molecular formula C24H48O4Si2 and a molecular weight of 456.82 g/mol. Its IUPAC name is propan-2-yl (2E,4S,5S,6E)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate.

Molecular Properties

• Compound Name: propan-2-yl (2E,4S,5S,6E)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate
• PubChem CID: 11282503
• Molecular Formula: C24H48O4Si2
• Molecular Weight: 456.82 g/mol
• Exact Mass: 456.31
• IUPAC Name: propan-2-yl (2E,4S,5S,6E)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate
• SMILES: C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(/O[Si](C)(C)C(C)(C)C)C(=O)OC(C)C
• InChI: InChI=1S/C24H48O4Si2/c1-15-16-20(27-29(11,12)23(5,6)7)19(4)17-21(22(25)26-18(2)3)28-30(13,14)24(8,9)10/h15-20H,1-14H3/b16-15+,21-17+/t19-,20-/m0/s1
• InChIKey: ILWYXWZQEFBEML-OPANTOSJSA-N
• XLogP: 7.45
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.82
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', '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'}

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2E,4S,5S,6E)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate?

The IUPAC name of propan-2-yl (2E,4S,5S,6E)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate (CID 11282503) is propan-2-yl (2E,4S,5S,6E)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate.

What is the SMILES notation for propan-2-yl (2E,4S,5S,6E)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate?

The canonical SMILES for propan-2-yl (2E,4S,5S,6E)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate is C/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(/O[Si](C)(C)C(C)(C)C)C(=O)OC(C)C.

What is the InChIKey of propan-2-yl (2E,4S,5S,6E)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate?

The InChIKey is ILWYXWZQEFBEML-OPANTOSJSA-N. The full InChI is InChI=1S/C24H48O4Si2/c1-15-16-20(27-29(11,12)23(5,6)7)19(4)17-21(22(25)26-18(2)3)28-30(13,14)24(8,9)10/h15-20H,1-14H3/b16-15+,21-17+/t19-,20-/m0/s1.

What are the key properties of propan-2-yl (2E,4S,5S,6E)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate?

propan-2-yl (2E,4S,5S,6E)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate has a molecular weight of 456.82 g/mol, XLogP of 7.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl (2E,4S,5S,6E)-2,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate is sourced from PubChem (CID 11282503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).