tert-butyl-[(1R,2E,4E,7R,8Z,10E)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane

C43H76O5Si2 — CID 11445544

About tert-butyl-[(1R,2E,4E,7R,8Z,10E)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane

tert-butyl-[(1R,2E,4E,7R,8Z,10E)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane (PubChem CID 11445544) has the molecular formula C43H76O5Si2 and a molecular weight of 729.25 g/mol. Its IUPAC name is tert-butyl-[(1R,2E,4E,7R,8Z,10E)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(1R,2E,4E,7R,8Z,10E)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane
• PubChem CID: 11445544
• Molecular Formula: C43H76O5Si2
• Molecular Weight: 729.25 g/mol
• Exact Mass: 728.52
• IUPAC Name: tert-butyl-[(1R,2E,4E,7R,8Z,10E)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane
• SMILES: C/C=C/[C@@H]1O[C@H]([C@@H](/C=C/C=C(\C)C[C@@H](C)/C=C(C)\C=C\[C@H]2CC=C[C@H](OC(C)C)O2)O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
• InChI: InChI=1S/C43H76O5Si2/c1-18-21-37-35(7)39(48-50(16,17)43(11,12)13)30-40(46-37)38(47-49(14,15)42(8,9)10)24-19-22-32(4)28-34(6)29-33(5)26-27-36-23-20-25-41(45-36)44-31(2)3/h18-22,24-27,29,31,34-41H,23,28,30H2,1-17H3/b21-18+,24-19+,27-26+,32-22+,33-29-/t34-,35-,36-,37+,38-,39-,40+,41-/m1/s1
• InChIKey: OGGVENWETXEWFR-GWFFGOBZSA-N
• XLogP: 12.26
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	729.25
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2E,4E,7R,8Z,10E)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(1R,2E,4E,7R,8Z,10E)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane (CID 11445544) is tert-butyl-[(1R,2E,4E,7R,8Z,10E)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(1R,2E,4E,7R,8Z,10E)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(1R,2E,4E,7R,8Z,10E)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane is C/C=C/[C@@H]1O[C@H]([C@@H](/C=C/C=C(\C)C[C@@H](C)/C=C(C)\C=C\[C@H]2CC=C[C@H](OC(C)C)O2)O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C.

What is the InChIKey of tert-butyl-[(1R,2E,4E,7R,8Z,10E)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane?

The InChIKey is OGGVENWETXEWFR-GWFFGOBZSA-N. The full InChI is InChI=1S/C43H76O5Si2/c1-18-21-37-35(7)39(48-50(16,17)43(11,12)13)30-40(46-37)38(47-49(14,15)42(8,9)10)24-19-22-32(4)28-34(6)29-33(5)26-27-36-23-20-25-41(45-36)44-31(2)3/h18-22,24-27,29,31,34-41H,23,28,30H2,1-17H3/b21-18+,24-19+,27-26+,32-22+,33-29-/t34-,35-,36-,37+,38-,39-,40+,41-/m1/s1.

What are the key properties of tert-butyl-[(1R,2E,4E,7R,8Z,10E)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane?

tert-butyl-[(1R,2E,4E,7R,8Z,10E)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane has a molecular weight of 729.25 g/mol, XLogP of 12.26, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(1R,2E,4E,7R,8Z,10E)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-5,7,9-trimethyl-11-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]undeca-2,4,8,10-tetraenoxy]-dimethylsilane is sourced from PubChem (CID 11445544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).