(2R)-2-[(2S,4S,5S,6S)-6-[(2S,3E,6R,7E,9E)-10-bromo-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxydeca-3,7,9-trienyl]-2-methoxy-5-methyl-4-triethylsilyloxyoxan-2-yl]propan-1-ol

C33H63BrO6Si2 — CID 102184922

About (2R)-2-[(2S,4S,5S,6S)-6-[(2S,3E,6R,7E,9E)-10-bromo-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxydeca-3,7,9-trienyl]-2-methoxy-5-methyl-4-triethylsilyloxyoxan-2-yl]propan-1-ol

(2R)-2-[(2S,4S,5S,6S)-6-[(2S,3E,6R,7E,9E)-10-bromo-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxydeca-3,7,9-trienyl]-2-methoxy-5-methyl-4-triethylsilyloxyoxan-2-yl]propan-1-ol (PubChem CID 102184922) has the molecular formula C33H63BrO6Si2 and a molecular weight of 691.94 g/mol. Its IUPAC name is (2R)-2-[(2S,4S,5S,6S)-6-[(2S,3E,6R,7E,9E)-10-bromo-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxydeca-3,7,9-trienyl]-2-methoxy-5-methyl-4-triethylsilyloxyoxan-2-yl]propan-1-ol.

Molecular Properties

• Compound Name: (2R)-2-[(2S,4S,5S,6S)-6-[(2S,3E,6R,7E,9E)-10-bromo-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxydeca-3,7,9-trienyl]-2-methoxy-5-methyl-4-triethylsilyloxyoxan-2-yl]propan-1-ol
• PubChem CID: 102184922
• Molecular Formula: C33H63BrO6Si2
• Molecular Weight: 691.94 g/mol
• Exact Mass: 690.33
• IUPAC Name: (2R)-2-[(2S,4S,5S,6S)-6-[(2S,3E,6R,7E,9E)-10-bromo-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxydeca-3,7,9-trienyl]-2-methoxy-5-methyl-4-triethylsilyloxyoxan-2-yl]propan-1-ol
• SMILES: CC[Si](CC)(CC)O[C@H]1C[C@@](OC)([C@H](C)CO)O[C@@H](C[C@@H](/C=C/C[C@H](/C=C/C=C/Br)O[Si](C)(C)C(C)(C)C)OC)[C@@H]1C
• InChI: InChI=1S/C33H63BrO6Si2/c1-13-42(14-2,15-3)40-31-24-33(37-10,26(4)25-35)38-30(27(31)5)23-29(36-9)21-18-20-28(19-16-17-22-34)39-41(11,12)32(6,7)8/h16-19,21-22,26-31,35H,13-15,20,23-25H2,1-12H3/b19-16+,21-18+,22-17+/t26-,27+,28+,29-,30+,31+,33+/m1/s1
• InChIKey: NYYXAFJKPCWKSS-BFDXJHKYSA-N
• XLogP: 8.98
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.94
LogP ≤ 5	8.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 (2R)-2-[(2S,4S,5S,6S)-6-[(2S,3E,6R,7E,9E)-10-bromo-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxydeca-3,7,9-trienyl]-2-methoxy-5-methyl-4-triethylsilyloxyoxan-2-yl]propan-1-ol?

The IUPAC name of (2R)-2-[(2S,4S,5S,6S)-6-[(2S,3E,6R,7E,9E)-10-bromo-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxydeca-3,7,9-trienyl]-2-methoxy-5-methyl-4-triethylsilyloxyoxan-2-yl]propan-1-ol (CID 102184922) is (2R)-2-[(2S,4S,5S,6S)-6-[(2S,3E,6R,7E,9E)-10-bromo-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxydeca-3,7,9-trienyl]-2-methoxy-5-methyl-4-triethylsilyloxyoxan-2-yl]propan-1-ol.

What is the SMILES notation for (2R)-2-[(2S,4S,5S,6S)-6-[(2S,3E,6R,7E,9E)-10-bromo-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxydeca-3,7,9-trienyl]-2-methoxy-5-methyl-4-triethylsilyloxyoxan-2-yl]propan-1-ol?

The canonical SMILES for (2R)-2-[(2S,4S,5S,6S)-6-[(2S,3E,6R,7E,9E)-10-bromo-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxydeca-3,7,9-trienyl]-2-methoxy-5-methyl-4-triethylsilyloxyoxan-2-yl]propan-1-ol is CC[Si](CC)(CC)O[C@H]1C[C@@](OC)([C@H](C)CO)O[C@@H](C[C@@H](/C=C/C[C@H](/C=C/C=C/Br)O[Si](C)(C)C(C)(C)C)OC)[C@@H]1C.

What is the InChIKey of (2R)-2-[(2S,4S,5S,6S)-6-[(2S,3E,6R,7E,9E)-10-bromo-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxydeca-3,7,9-trienyl]-2-methoxy-5-methyl-4-triethylsilyloxyoxan-2-yl]propan-1-ol?

The InChIKey is NYYXAFJKPCWKSS-BFDXJHKYSA-N. The full InChI is InChI=1S/C33H63BrO6Si2/c1-13-42(14-2,15-3)40-31-24-33(37-10,26(4)25-35)38-30(27(31)5)23-29(36-9)21-18-20-28(19-16-17-22-34)39-41(11,12)32(6,7)8/h16-19,21-22,26-31,35H,13-15,20,23-25H2,1-12H3/b19-16+,21-18+,22-17+/t26-,27+,28+,29-,30+,31+,33+/m1/s1.

What are the key properties of (2R)-2-[(2S,4S,5S,6S)-6-[(2S,3E,6R,7E,9E)-10-bromo-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxydeca-3,7,9-trienyl]-2-methoxy-5-methyl-4-triethylsilyloxyoxan-2-yl]propan-1-ol?

(2R)-2-[(2S,4S,5S,6S)-6-[(2S,3E,6R,7E,9E)-10-bromo-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxydeca-3,7,9-trienyl]-2-methoxy-5-methyl-4-triethylsilyloxyoxan-2-yl]propan-1-ol has a molecular weight of 691.94 g/mol, XLogP of 8.98, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(2S,4S,5S,6S)-6-[(2S,3E,6R,7E,9E)-10-bromo-6-[tert-butyl(dimethyl)silyl]oxy-2-methoxydeca-3,7,9-trienyl]-2-methoxy-5-methyl-4-triethylsilyloxyoxan-2-yl]propan-1-ol is sourced from PubChem (CID 102184922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).