[(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane

C41H76O4Si2 — CID 11093684

About [(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane

[(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane (PubChem CID 11093684) has the molecular formula C41H76O4Si2 and a molecular weight of 689.23 g/mol. Its IUPAC name is [(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane
• PubChem CID: 11093684
• Molecular Formula: C41H76O4Si2
• Molecular Weight: 689.23 g/mol
• Exact Mass: 688.53
• IUPAC Name: [(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane
• SMILES: CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC)/C=C/[C@H]1CC=CC(OC(C)C)O1
• InChI: InChI=1S/C41H76O4Si2/c1-18-33(7)39(45-47(16,17)41(10,11)12)35(9)40(44-46(13,14)15)34(8)28-31(5)22-20-23-32(6)29-36(19-2)26-27-37-24-21-25-38(43-37)42-30(3)4/h20-22,25-30,32-35,37-40H,18-19,23-24H2,1-17H3/b22-20+,27-26+,31-28+,36-29-/t32-,33+,34-,35+,37-,38?,39-,40+/m1/s1
• InChIKey: JTBJWOCIHBGFBV-HVOFFEETSA-N
• XLogP: 12.43
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 19
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.23
LogP ≤ 5	12.43
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': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane?

The IUPAC name of [(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane (CID 11093684) is [(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane.

What is the SMILES notation for [(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane?

The canonical SMILES for [(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane is CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC)/C=C/[C@H]1CC=CC(OC(C)C)O1.

What is the InChIKey of [(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane?

The InChIKey is JTBJWOCIHBGFBV-HVOFFEETSA-N. The full InChI is InChI=1S/C41H76O4Si2/c1-18-33(7)39(45-47(16,17)41(10,11)12)35(9)40(44-46(13,14)15)34(8)28-31(5)22-20-23-32(6)29-36(19-2)26-27-37-24-21-25-38(43-37)42-30(3)4/h20-22,25-30,32-35,37-40H,18-19,23-24H2,1-17H3/b22-20+,27-26+,31-28+,36-29-/t32-,33+,34-,35+,37-,38?,39-,40+/m1/s1.

What are the key properties of [(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane?

[(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane has a molecular weight of 689.23 g/mol, XLogP of 12.43, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S,3S,4R,5E,7E,10R,11Z,13E)-1-[(2S)-butan-2-yl]-12-ethyl-2,4,6,10-tetramethyl-14-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-3-trimethylsilyloxytetradeca-5,7,11,13-tetraenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 11093684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).