(4R,6R)-6-[(1R,2E,4E,6R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-methoxyoxan-2-one

C26H46O5Si2 — CID 101149829

About (4R,6R)-6-[(1R,2E,4E,6R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-methoxyoxan-2-one

(4R,6R)-6-[(1R,2E,4E,6R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-methoxyoxan-2-one (PubChem CID 101149829) has the molecular formula C26H46O5Si2 and a molecular weight of 494.82 g/mol. Its IUPAC name is (4R,6R)-6-[(1R,2E,4E,6R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-methoxyoxan-2-one.

Molecular Properties

• Compound Name: (4R,6R)-6-[(1R,2E,4E,6R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-methoxyoxan-2-one
• PubChem CID: 101149829
• Molecular Formula: C26H46O5Si2
• Molecular Weight: 494.82 g/mol
• Exact Mass: 494.29
• IUPAC Name: (4R,6R)-6-[(1R,2E,4E,6R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-methoxyoxan-2-one
• SMILES: CO[C@H]1CC(=O)O[C@@H]([C@@H](/C=C(C)/C=C/[C@@H](CC#C[Si](C)(C)C)OC)O[Si](C)(C)C(C)(C)C)C1
• InChI: InChI=1S/C26H46O5Si2/c1-20(14-15-21(28-5)13-12-16-32(7,8)9)17-24(31-33(10,11)26(2,3)4)23-18-22(29-6)19-25(27)30-23/h14-15,17,21-24H,13,18-19H2,1-11H3/b15-14+,20-17+/t21-,22-,23-,24-/m1/s1
• InChIKey: KPWGMJNHNVFCBW-BMHYJNNVSA-N
• XLogP: 5.89
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.82
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-6-[(1R,2E,4E,6R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-methoxyoxan-2-one?

The IUPAC name of (4R,6R)-6-[(1R,2E,4E,6R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-methoxyoxan-2-one (CID 101149829) is (4R,6R)-6-[(1R,2E,4E,6R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-methoxyoxan-2-one.

What is the SMILES notation for (4R,6R)-6-[(1R,2E,4E,6R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-methoxyoxan-2-one?

The canonical SMILES for (4R,6R)-6-[(1R,2E,4E,6R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-methoxyoxan-2-one is CO[C@H]1CC(=O)O[C@@H]([C@@H](/C=C(C)/C=C/[C@@H](CC#C[Si](C)(C)C)OC)O[Si](C)(C)C(C)(C)C)C1.

What is the InChIKey of (4R,6R)-6-[(1R,2E,4E,6R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-methoxyoxan-2-one?

The InChIKey is KPWGMJNHNVFCBW-BMHYJNNVSA-N. The full InChI is InChI=1S/C26H46O5Si2/c1-20(14-15-21(28-5)13-12-16-32(7,8)9)17-24(31-33(10,11)26(2,3)4)23-18-22(29-6)19-25(27)30-23/h14-15,17,21-24H,13,18-19H2,1-11H3/b15-14+,20-17+/t21-,22-,23-,24-/m1/s1.

What are the key properties of (4R,6R)-6-[(1R,2E,4E,6R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-methoxyoxan-2-one?

(4R,6R)-6-[(1R,2E,4E,6R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-methoxyoxan-2-one has a molecular weight of 494.82 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,6R)-6-[(1R,2E,4E,6R)-1-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3-methyl-9-trimethylsilylnona-2,4-dien-8-ynyl]-4-methoxyoxan-2-one is sourced from PubChem (CID 101149829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).