(E,2S,3S,4R,5R,6S,7R,10S)-10-[2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S,2E,4S,5Z)-2,4-dimethyl-1-(2-trimethylsilylethoxymethoxy)hepta-2,5-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl]-1,3-dithian-2-yl]-3-methoxy-5-[(4-methoxyphenyl)methoxy]-4,6,8-trimethyl-2-(2-trimethylsilylethoxymethoxy)-7-tri(propan-2-yl)silyloxyundec-8-en-1-ol

C73H138O12S2Si4 — CID 23629260

About (E,2S,3S,4R,5R,6S,7R,10S)-10-[2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S,2E,4S,5Z)-2,4-dimethyl-1-(2-trimethylsilylethoxymethoxy)hepta-2,5-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl]-1,3-dithian-2-yl]-3-methoxy-5-[(4-methoxyphenyl)methoxy]-4,6,8-trimethyl-2-(2-trimethylsilylethoxymethoxy)-7-tri(propan-2-yl)silyloxyundec-8-en-1-ol

(E,2S,3S,4R,5R,6S,7R,10S)-10-[2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S,2E,4S,5Z)-2,4-dimethyl-1-(2-trimethylsilylethoxymethoxy)hepta-2,5-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl]-1,3-dithian-2-yl]-3-methoxy-5-[(4-methoxyphenyl)methoxy]-4,6,8-trimethyl-2-(2-trimethylsilylethoxymethoxy)-7-tri(propan-2-yl)silyloxyundec-8-en-1-ol (PubChem CID 23629260) has the molecular formula C73H138O12S2Si4 and a molecular weight of 1384.37 g/mol. Its IUPAC name is (E,2S,3S,4R,5R,6S,7R,10S)-10-[2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S,2E,4S,5Z)-2,4-dimethyl-1-(2-trimethylsilylethoxymethoxy)hepta-2,5-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl]-1,3-dithian-2-yl]-3-methoxy-5-[(4-methoxyphenyl)methoxy]-4,6,8-trimethyl-2-(2-trimethylsilylethoxymethoxy)-7-tri(propan-2-yl)silyloxyundec-8-en-1-ol.

Molecular Properties

• Compound Name: (E,2S,3S,4R,5R,6S,7R,10S)-10-[2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S,2E,4S,5Z)-2,4-dimethyl-1-(2-trimethylsilylethoxymethoxy)hepta-2,5-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl]-1,3-dithian-2-yl]-3-methoxy-5-[(4-methoxyphenyl)methoxy]-4,6,8-trimethyl-2-(2-trimethylsilylethoxymethoxy)-7-tri(propan-2-yl)silyloxyundec-8-en-1-ol
• PubChem CID: 23629260
• Molecular Formula: C73H138O12S2Si4
• Molecular Weight: 1384.37 g/mol
• Exact Mass: 1382.87
• IUPAC Name: (E,2S,3S,4R,5R,6S,7R,10S)-10-[2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S,2E,4S,5Z)-2,4-dimethyl-1-(2-trimethylsilylethoxymethoxy)hepta-2,5-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl]-1,3-dithian-2-yl]-3-methoxy-5-[(4-methoxyphenyl)methoxy]-4,6,8-trimethyl-2-(2-trimethylsilylethoxymethoxy)-7-tri(propan-2-yl)silyloxyundec-8-en-1-ol
• SMILES: C/C=C\[C@H](C)/C=C(\C)[C@@H](OCOCC[Si](C)(C)C)[C@H]1COC(C)(C)O[C@H]1[C@H](C)[C@H](CC1([C@@H](C)/C=C(\C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@H](OCc2ccc(OC)cc2)[C@@H](C)[C@H](OC)[C@H](CO)OCOCC[Si](C)(C)C)SCCCS1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C73H138O12S2Si4/c1-30-32-54(8)43-55(9)67(81-50-78-38-42-89(25,26)27)63-48-82-72(18,19)83-69(63)58(12)64(84-90(28,29)71(15,16)17)45-73(86-39-31-40-87-73)57(11)44-56(10)66(85-91(51(2)3,52(4)5)53(6)7)59(13)68(79-47-61-33-35-62(75-20)36-34-61)60(14)70(76-21)65(46-74)80-49-77-37-41-88(22,23)24/h30,32-36,43-44,51-54,57-60,63-70,74H,31,37-42,45-50H2,1-29H3/b32-30-,55-43+,56-44+/t54-,57-,58+,59+,60+,63+,64-,65-,66-,67+,68-,69-,70-/m0/s1
• InChIKey: SVJLDAOOVFOTEA-WYVDIRODSA-N
• XLogP: 19.31
• TPSA: 121.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 41
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1384.37
LogP ≤ 5	19.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E,2S,3S,4R,5R,6S,7R,10S)-10-[2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S,2E,4S,5Z)-2,4-dimethyl-1-(2-trimethylsilylethoxymethoxy)hepta-2,5-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl]-1,3-dithian-2-yl]-3-methoxy-5-[(4-methoxyphenyl)methoxy]-4,6,8-trimethyl-2-(2-trimethylsilylethoxymethoxy)-7-tri(propan-2-yl)silyloxyundec-8-en-1-ol?

The IUPAC name of (E,2S,3S,4R,5R,6S,7R,10S)-10-[2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S,2E,4S,5Z)-2,4-dimethyl-1-(2-trimethylsilylethoxymethoxy)hepta-2,5-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl]-1,3-dithian-2-yl]-3-methoxy-5-[(4-methoxyphenyl)methoxy]-4,6,8-trimethyl-2-(2-trimethylsilylethoxymethoxy)-7-tri(propan-2-yl)silyloxyundec-8-en-1-ol (CID 23629260) is (E,2S,3S,4R,5R,6S,7R,10S)-10-[2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S,2E,4S,5Z)-2,4-dimethyl-1-(2-trimethylsilylethoxymethoxy)hepta-2,5-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl]-1,3-dithian-2-yl]-3-methoxy-5-[(4-methoxyphenyl)methoxy]-4,6,8-trimethyl-2-(2-trimethylsilylethoxymethoxy)-7-tri(propan-2-yl)silyloxyundec-8-en-1-ol.

What is the SMILES notation for (E,2S,3S,4R,5R,6S,7R,10S)-10-[2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S,2E,4S,5Z)-2,4-dimethyl-1-(2-trimethylsilylethoxymethoxy)hepta-2,5-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl]-1,3-dithian-2-yl]-3-methoxy-5-[(4-methoxyphenyl)methoxy]-4,6,8-trimethyl-2-(2-trimethylsilylethoxymethoxy)-7-tri(propan-2-yl)silyloxyundec-8-en-1-ol?

The canonical SMILES for (E,2S,3S,4R,5R,6S,7R,10S)-10-[2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S,2E,4S,5Z)-2,4-dimethyl-1-(2-trimethylsilylethoxymethoxy)hepta-2,5-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl]-1,3-dithian-2-yl]-3-methoxy-5-[(4-methoxyphenyl)methoxy]-4,6,8-trimethyl-2-(2-trimethylsilylethoxymethoxy)-7-tri(propan-2-yl)silyloxyundec-8-en-1-ol is C/C=C\[C@H](C)/C=C(\C)[C@@H](OCOCC[Si](C)(C)C)[C@H]1COC(C)(C)O[C@H]1[C@H](C)[C@H](CC1([C@@H](C)/C=C(\C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)[C@H](OCc2ccc(OC)cc2)[C@@H](C)[C@H](OC)[C@H](CO)OCOCC[Si](C)(C)C)SCCCS1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of (E,2S,3S,4R,5R,6S,7R,10S)-10-[2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S,2E,4S,5Z)-2,4-dimethyl-1-(2-trimethylsilylethoxymethoxy)hepta-2,5-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl]-1,3-dithian-2-yl]-3-methoxy-5-[(4-methoxyphenyl)methoxy]-4,6,8-trimethyl-2-(2-trimethylsilylethoxymethoxy)-7-tri(propan-2-yl)silyloxyundec-8-en-1-ol?

The InChIKey is SVJLDAOOVFOTEA-WYVDIRODSA-N. The full InChI is InChI=1S/C73H138O12S2Si4/c1-30-32-54(8)43-55(9)67(81-50-78-38-42-89(25,26)27)63-48-82-72(18,19)83-69(63)58(12)64(84-90(28,29)71(15,16)17)45-73(86-39-31-40-87-73)57(11)44-56(10)66(85-91(51(2)3,52(4)5)53(6)7)59(13)68(79-47-61-33-35-62(75-20)36-34-61)60(14)70(76-21)65(46-74)80-49-77-37-41-88(22,23)24/h30,32-36,43-44,51-54,57-60,63-70,74H,31,37-42,45-50H2,1-29H3/b32-30-,55-43+,56-44+/t54-,57-,58+,59+,60+,63+,64-,65-,66-,67+,68-,69-,70-/m0/s1.

What are the key properties of (E,2S,3S,4R,5R,6S,7R,10S)-10-[2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S,2E,4S,5Z)-2,4-dimethyl-1-(2-trimethylsilylethoxymethoxy)hepta-2,5-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl]-1,3-dithian-2-yl]-3-methoxy-5-[(4-methoxyphenyl)methoxy]-4,6,8-trimethyl-2-(2-trimethylsilylethoxymethoxy)-7-tri(propan-2-yl)silyloxyundec-8-en-1-ol?

(E,2S,3S,4R,5R,6S,7R,10S)-10-[2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S,2E,4S,5Z)-2,4-dimethyl-1-(2-trimethylsilylethoxymethoxy)hepta-2,5-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl]-1,3-dithian-2-yl]-3-methoxy-5-[(4-methoxyphenyl)methoxy]-4,6,8-trimethyl-2-(2-trimethylsilylethoxymethoxy)-7-tri(propan-2-yl)silyloxyundec-8-en-1-ol has a molecular weight of 1384.37 g/mol, XLogP of 19.31, 41 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (E,2S,3S,4R,5R,6S,7R,10S)-10-[2-[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4S,5S)-5-[(1S,2E,4S,5Z)-2,4-dimethyl-1-(2-trimethylsilylethoxymethoxy)hepta-2,5-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]butyl]-1,3-dithian-2-yl]-3-methoxy-5-[(4-methoxyphenyl)methoxy]-4,6,8-trimethyl-2-(2-trimethylsilylethoxymethoxy)-7-tri(propan-2-yl)silyloxyundec-8-en-1-ol is sourced from PubChem (CID 23629260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).