[(2R,4R)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-4-[(2R,4R,5R)-4-methyl-5-prop-2-ynyloxolan-2-yl]butan-2-yl] (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E,2R)-2-methylhept-3-en-5-ynyl]oxan-2-yl]but-2-enoate

C67H92O7Si3 — CID 135072700

About [(2R,4R)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-4-[(2R,4R,5R)-4-methyl-5-prop-2-ynyloxolan-2-yl]butan-2-yl] (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E,2R)-2-methylhept-3-en-5-ynyl]oxan-2-yl]but-2-enoate

[(2R,4R)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-4-[(2R,4R,5R)-4-methyl-5-prop-2-ynyloxolan-2-yl]butan-2-yl] (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E,2R)-2-methylhept-3-en-5-ynyl]oxan-2-yl]but-2-enoate (PubChem CID 135072700) has the molecular formula C67H92O7Si3 and a molecular weight of 1093.72 g/mol. Its IUPAC name is [(2R,4R)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-4-[(2R,4R,5R)-4-methyl-5-prop-2-ynyloxolan-2-yl]butan-2-yl] (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E,2R)-2-methylhept-3-en-5-ynyl]oxan-2-yl]but-2-enoate.

Molecular Properties

• Compound Name: [(2R,4R)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-4-[(2R,4R,5R)-4-methyl-5-prop-2-ynyloxolan-2-yl]butan-2-yl] (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E,2R)-2-methylhept-3-en-5-ynyl]oxan-2-yl]but-2-enoate
• PubChem CID: 135072700
• Molecular Formula: C67H92O7Si3
• Molecular Weight: 1093.72 g/mol
• Exact Mass: 1092.62
• IUPAC Name: [(2R,4R)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-4-[(2R,4R,5R)-4-methyl-5-prop-2-ynyloxolan-2-yl]butan-2-yl] (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E,2R)-2-methylhept-3-en-5-ynyl]oxan-2-yl]but-2-enoate
• SMILES: C#CC[C@H]1O[C@@H]([C@@H](C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)/C=C/C[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C[C@@H](C)/C=C/C#CC)O2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C
• InChI: InChI=1S/C67H92O7Si3/c1-16-18-23-34-51(3)45-54-48-55(73-75(14,15)65(5,6)7)47-53(70-54)35-32-44-64(68)71-56(50-69-76(66(8,9)10,57-36-24-19-25-37-57)58-38-26-20-27-39-58)49-63(62-46-52(4)61(72-62)33-17-2)74-77(67(11,12)13,59-40-28-21-29-41-59)60-42-30-22-31-43-60/h2,19-32,34,36-44,51-56,61-63H,33,35,45-50H2,1,3-15H3/b34-23+,44-32+/t51-,52+,53-,54+,55+,56+,61+,62+,63+/m0/s1
• InChIKey: UIEXPKCOEWWCAU-XPIVVGBUSA-N
• XLogP: 13.12
• TPSA: 72.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 22
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1093.72
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-4-[(2R,4R,5R)-4-methyl-5-prop-2-ynyloxolan-2-yl]butan-2-yl] (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E,2R)-2-methylhept-3-en-5-ynyl]oxan-2-yl]but-2-enoate?

The IUPAC name of [(2R,4R)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-4-[(2R,4R,5R)-4-methyl-5-prop-2-ynyloxolan-2-yl]butan-2-yl] (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E,2R)-2-methylhept-3-en-5-ynyl]oxan-2-yl]but-2-enoate (CID 135072700) is [(2R,4R)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-4-[(2R,4R,5R)-4-methyl-5-prop-2-ynyloxolan-2-yl]butan-2-yl] (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E,2R)-2-methylhept-3-en-5-ynyl]oxan-2-yl]but-2-enoate.

What is the SMILES notation for [(2R,4R)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-4-[(2R,4R,5R)-4-methyl-5-prop-2-ynyloxolan-2-yl]butan-2-yl] (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E,2R)-2-methylhept-3-en-5-ynyl]oxan-2-yl]but-2-enoate?

The canonical SMILES for [(2R,4R)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-4-[(2R,4R,5R)-4-methyl-5-prop-2-ynyloxolan-2-yl]butan-2-yl] (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E,2R)-2-methylhept-3-en-5-ynyl]oxan-2-yl]but-2-enoate is C#CC[C@H]1O[C@@H]([C@@H](C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC(=O)/C=C/C[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C[C@@H](C)/C=C/C#CC)O2)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1C.

What is the InChIKey of [(2R,4R)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-4-[(2R,4R,5R)-4-methyl-5-prop-2-ynyloxolan-2-yl]butan-2-yl] (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E,2R)-2-methylhept-3-en-5-ynyl]oxan-2-yl]but-2-enoate?

The InChIKey is UIEXPKCOEWWCAU-XPIVVGBUSA-N. The full InChI is InChI=1S/C67H92O7Si3/c1-16-18-23-34-51(3)45-54-48-55(73-75(14,15)65(5,6)7)47-53(70-54)35-32-44-64(68)71-56(50-69-76(66(8,9)10,57-36-24-19-25-37-57)58-38-26-20-27-39-58)49-63(62-46-52(4)61(72-62)33-17-2)74-77(67(11,12)13,59-40-28-21-29-41-59)60-42-30-22-31-43-60/h2,19-32,34,36-44,51-56,61-63H,33,35,45-50H2,1,3-15H3/b34-23+,44-32+/t51-,52+,53-,54+,55+,56+,61+,62+,63+/m0/s1.

What are the key properties of [(2R,4R)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-4-[(2R,4R,5R)-4-methyl-5-prop-2-ynyloxolan-2-yl]butan-2-yl] (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E,2R)-2-methylhept-3-en-5-ynyl]oxan-2-yl]but-2-enoate?

[(2R,4R)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-4-[(2R,4R,5R)-4-methyl-5-prop-2-ynyloxolan-2-yl]butan-2-yl] (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E,2R)-2-methylhept-3-en-5-ynyl]oxan-2-yl]but-2-enoate has a molecular weight of 1093.72 g/mol, XLogP of 13.12, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,4R)-1,4-bis[[tert-butyl(diphenyl)silyl]oxy]-4-[(2R,4R,5R)-4-methyl-5-prop-2-ynyloxolan-2-yl]butan-2-yl] (E)-4-[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(E,2R)-2-methylhept-3-en-5-ynyl]oxan-2-yl]but-2-enoate is sourced from PubChem (CID 135072700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).