[(2R,2'R,3'S,4'S,4'aR,6S,8'R,8'aS)-2'-[(2S)-4-[[(2R,3R,4R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]oxan-2-yl]methyl]-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3',4'-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-2-(2-tributylstannylprop-2-enyl)spiro[2,3-dihydropyran-6,6'-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran]-8'-yl]oxy-tert-butyl-dimethylsilane

C96H178O11Si7Sn — CID 162416822

About [(2R,2'R,3'S,4'S,4'aR,6S,8'R,8'aS)-2'-[(2S)-4-[[(2R,3R,4R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]oxan-2-yl]methyl]-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3',4'-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-2-(2-tributylstannylprop-2-enyl)spiro[2,3-dihydropyran-6,6'-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran]-8'-yl]oxy-tert-butyl-dimethylsilane

[(2R,2'R,3'S,4'S,4'aR,6S,8'R,8'aS)-2'-[(2S)-4-[[(2R,3R,4R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]oxan-2-yl]methyl]-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3',4'-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-2-(2-tributylstannylprop-2-enyl)spiro[2,3-dihydropyran-6,6'-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran]-8'-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 162416822) has the molecular formula C96H178O11Si7Sn and a molecular weight of 1823.78 g/mol. Its IUPAC name is [(2R,2'R,3'S,4'S,4'aR,6S,8'R,8'aS)-2'-[(2S)-4-[[(2R,3R,4R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]oxan-2-yl]methyl]-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3',4'-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-2-(2-tributylstannylprop-2-enyl)spiro[2,3-dihydropyran-6,6'-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran]-8'-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(2R,2'R,3'S,4'S,4'aR,6S,8'R,8'aS)-2'-[(2S)-4-[[(2R,3R,4R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]oxan-2-yl]methyl]-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3',4'-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-2-(2-tributylstannylprop-2-enyl)spiro[2,3-dihydropyran-6,6'-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran]-8'-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 162416822
• Molecular Formula: C96H178O11Si7Sn
• Molecular Weight: 1823.78 g/mol
• Exact Mass: 1823.08
• IUPAC Name: [(2R,2'R,3'S,4'S,4'aR,6S,8'R,8'aS)-2'-[(2S)-4-[[(2R,3R,4R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]oxan-2-yl]methyl]-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3',4'-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-2-(2-tributylstannylprop-2-enyl)spiro[2,3-dihydropyran-6,6'-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran]-8'-yl]oxy-tert-butyl-dimethylsilane
• SMILES: C=C(C[C@@H](C[C@H]1O[C@H]2[C@@H](O[C@]3(C=C(C)C[C@H](CC(=C)[Sn](CCCC)(CCCC)CCCC)O3)C[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@H](C/C=C/CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C84H151O11Si7.3C4H9.Sn/c1-37-47-64-55-62(3)59-84(88-64)60-71(92-98(29,30)79(10,11)12)73-75(89-84)76(95-101(35,36)82(19,20)21)74(94-100(33,34)81(16,17)18)69(87-73)58-65(90-96(25,26)77(4,5)6)54-61(2)56-68-72(93-99(31,32)80(13,14)15)70(91-97(27,28)78(7,8)9)57-63(86-68)48-41-40-46-53-85-102(83(22,23)24,66-49-42-38-43-50-66)67-51-44-39-45-52-67;3*1-3-4-2;/h38-45,49-52,59,63-65,68-76H,1-2,46-48,53-58,60H2,3-36H3;3*1,3-4H2,2H3;/b41-40+;;;;/t63-,64+,65+,68-,69-,70-,71-,72-,73-,74+,75-,76-,84-;;;;/m1..../s1
• InChIKey: MASDEEKBSRASRX-XQEBQSLWSA-N
• XLogP: 27.45
• TPSA: 101.53 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 38
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1823.78
LogP ≤ 5	27.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,2'R,3'S,4'S,4'aR,6S,8'R,8'aS)-2'-[(2S)-4-[[(2R,3R,4R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]oxan-2-yl]methyl]-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3',4'-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-2-(2-tributylstannylprop-2-enyl)spiro[2,3-dihydropyran-6,6'-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran]-8'-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(2R,2'R,3'S,4'S,4'aR,6S,8'R,8'aS)-2'-[(2S)-4-[[(2R,3R,4R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]oxan-2-yl]methyl]-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3',4'-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-2-(2-tributylstannylprop-2-enyl)spiro[2,3-dihydropyran-6,6'-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran]-8'-yl]oxy-tert-butyl-dimethylsilane (CID 162416822) is [(2R,2'R,3'S,4'S,4'aR,6S,8'R,8'aS)-2'-[(2S)-4-[[(2R,3R,4R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]oxan-2-yl]methyl]-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3',4'-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-2-(2-tributylstannylprop-2-enyl)spiro[2,3-dihydropyran-6,6'-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran]-8'-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(2R,2'R,3'S,4'S,4'aR,6S,8'R,8'aS)-2'-[(2S)-4-[[(2R,3R,4R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]oxan-2-yl]methyl]-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3',4'-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-2-(2-tributylstannylprop-2-enyl)spiro[2,3-dihydropyran-6,6'-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran]-8'-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(2R,2'R,3'S,4'S,4'aR,6S,8'R,8'aS)-2'-[(2S)-4-[[(2R,3R,4R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]oxan-2-yl]methyl]-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3',4'-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-2-(2-tributylstannylprop-2-enyl)spiro[2,3-dihydropyran-6,6'-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran]-8'-yl]oxy-tert-butyl-dimethylsilane is C=C(C[C@@H](C[C@H]1O[C@H]2[C@@H](O[C@]3(C=C(C)C[C@H](CC(=C)[Sn](CCCC)(CCCC)CCCC)O3)C[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C[C@H]1O[C@H](C/C=C/CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(2R,2'R,3'S,4'S,4'aR,6S,8'R,8'aS)-2'-[(2S)-4-[[(2R,3R,4R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]oxan-2-yl]methyl]-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3',4'-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-2-(2-tributylstannylprop-2-enyl)spiro[2,3-dihydropyran-6,6'-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran]-8'-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is MASDEEKBSRASRX-XQEBQSLWSA-N. The full InChI is InChI=1S/C84H151O11Si7.3C4H9.Sn/c1-37-47-64-55-62(3)59-84(88-64)60-71(92-98(29,30)79(10,11)12)73-75(89-84)76(95-101(35,36)82(19,20)21)74(94-100(33,34)81(16,17)18)69(87-73)58-65(90-96(25,26)77(4,5)6)54-61(2)56-68-72(93-99(31,32)80(13,14)15)70(91-97(27,28)78(7,8)9)57-63(86-68)48-41-40-46-53-85-102(83(22,23)24,66-49-42-38-43-50-66)67-51-44-39-45-52-67;3*1-3-4-2;/h38-45,49-52,59,63-65,68-76H,1-2,46-48,53-58,60H2,3-36H3;3*1,3-4H2,2H3;/b41-40+;;;;/t63-,64+,65+,68-,69-,70-,71-,72-,73-,74+,75-,76-,84-;;;;/m1..../s1.

What are the key properties of [(2R,2'R,3'S,4'S,4'aR,6S,8'R,8'aS)-2'-[(2S)-4-[[(2R,3R,4R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]oxan-2-yl]methyl]-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3',4'-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-2-(2-tributylstannylprop-2-enyl)spiro[2,3-dihydropyran-6,6'-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran]-8'-yl]oxy-tert-butyl-dimethylsilane?

[(2R,2'R,3'S,4'S,4'aR,6S,8'R,8'aS)-2'-[(2S)-4-[[(2R,3R,4R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]oxan-2-yl]methyl]-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3',4'-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-2-(2-tributylstannylprop-2-enyl)spiro[2,3-dihydropyran-6,6'-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran]-8'-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 1823.78 g/mol, XLogP of 27.45, 38 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,2'R,3'S,4'S,4'aR,6S,8'R,8'aS)-2'-[(2S)-4-[[(2R,3R,4R,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]oxan-2-yl]methyl]-2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]-3',4'-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-2-(2-tributylstannylprop-2-enyl)spiro[2,3-dihydropyran-6,6'-3,4,4a,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran]-8'-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 162416822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).