(1R,4R,6S,9R,10R,13R,14S,15E,18S,21R,22E,25R)-10-butyl-4,6,9,14,18-pentakis[[tert-butyl(dimethyl)silyl]oxy]-13,21,23,27,27-pentamethyl-17-methylidene-11,26,28-trioxabicyclo[23.3.1]nonacosa-15,22-diene-12,20,29-trione

C66H128O11Si5 — CID 11643857

About (1R,4R,6S,9R,10R,13R,14S,15E,18S,21R,22E,25R)-10-butyl-4,6,9,14,18-pentakis[[tert-butyl(dimethyl)silyl]oxy]-13,21,23,27,27-pentamethyl-17-methylidene-11,26,28-trioxabicyclo[23.3.1]nonacosa-15,22-diene-12,20,29-trione

(1R,4R,6S,9R,10R,13R,14S,15E,18S,21R,22E,25R)-10-butyl-4,6,9,14,18-pentakis[[tert-butyl(dimethyl)silyl]oxy]-13,21,23,27,27-pentamethyl-17-methylidene-11,26,28-trioxabicyclo[23.3.1]nonacosa-15,22-diene-12,20,29-trione (PubChem CID 11643857) has the molecular formula C66H128O11Si5 and a molecular weight of 1238.17 g/mol. Its IUPAC name is (1R,4R,6S,9R,10R,13R,14S,15E,18S,21R,22E,25R)-10-butyl-4,6,9,14,18-pentakis[[tert-butyl(dimethyl)silyl]oxy]-13,21,23,27,27-pentamethyl-17-methylidene-11,26,28-trioxabicyclo[23.3.1]nonacosa-15,22-diene-12,20,29-trione.

Molecular Properties

• Compound Name: (1R,4R,6S,9R,10R,13R,14S,15E,18S,21R,22E,25R)-10-butyl-4,6,9,14,18-pentakis[[tert-butyl(dimethyl)silyl]oxy]-13,21,23,27,27-pentamethyl-17-methylidene-11,26,28-trioxabicyclo[23.3.1]nonacosa-15,22-diene-12,20,29-trione
• PubChem CID: 11643857
• Molecular Formula: C66H128O11Si5
• Molecular Weight: 1238.17 g/mol
• Exact Mass: 1236.83
• IUPAC Name: (1R,4R,6S,9R,10R,13R,14S,15E,18S,21R,22E,25R)-10-butyl-4,6,9,14,18-pentakis[[tert-butyl(dimethyl)silyl]oxy]-13,21,23,27,27-pentamethyl-17-methylidene-11,26,28-trioxabicyclo[23.3.1]nonacosa-15,22-diene-12,20,29-trione
• SMILES: C=C1/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@H](CCCC)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@H]2OC(C)(C)O[C@H](C/C(C)=C/[C@@H](C)C(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C)C2=O
• InChI: InChI=1S/C66H128O11Si5/c1-33-34-35-54-55(76-81(29,30)64(15,16)17)40-37-50(73-78(23,24)61(6,7)8)44-51(74-79(25,26)62(9,10)11)38-41-56-59(68)58(72-66(21,22)71-56)43-46(2)42-48(4)52(67)45-57(77-82(31,32)65(18,19)20)47(3)36-39-53(49(5)60(69)70-54)75-80(27,28)63(12,13)14/h36,39,42,48-51,53-58H,3,33-35,37-38,40-41,43-45H2,1-2,4-32H3/b39-36+,46-42+/t48-,49-,50+,51-,53+,54-,55-,56-,57+,58-/m1/s1
• InChIKey: CRDCQZLPKVWKAB-CRGAVHLUSA-N
• XLogP: 18.77
• TPSA: 125.05 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1238.17
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,4R,6S,9R,10R,13R,14S,15E,18S,21R,22E,25R)-10-butyl-4,6,9,14,18-pentakis[[tert-butyl(dimethyl)silyl]oxy]-13,21,23,27,27-pentamethyl-17-methylidene-11,26,28-trioxabicyclo[23.3.1]nonacosa-15,22-diene-12,20,29-trione?

The IUPAC name of (1R,4R,6S,9R,10R,13R,14S,15E,18S,21R,22E,25R)-10-butyl-4,6,9,14,18-pentakis[[tert-butyl(dimethyl)silyl]oxy]-13,21,23,27,27-pentamethyl-17-methylidene-11,26,28-trioxabicyclo[23.3.1]nonacosa-15,22-diene-12,20,29-trione (CID 11643857) is (1R,4R,6S,9R,10R,13R,14S,15E,18S,21R,22E,25R)-10-butyl-4,6,9,14,18-pentakis[[tert-butyl(dimethyl)silyl]oxy]-13,21,23,27,27-pentamethyl-17-methylidene-11,26,28-trioxabicyclo[23.3.1]nonacosa-15,22-diene-12,20,29-trione.

What is the SMILES notation for (1R,4R,6S,9R,10R,13R,14S,15E,18S,21R,22E,25R)-10-butyl-4,6,9,14,18-pentakis[[tert-butyl(dimethyl)silyl]oxy]-13,21,23,27,27-pentamethyl-17-methylidene-11,26,28-trioxabicyclo[23.3.1]nonacosa-15,22-diene-12,20,29-trione?

The canonical SMILES for (1R,4R,6S,9R,10R,13R,14S,15E,18S,21R,22E,25R)-10-butyl-4,6,9,14,18-pentakis[[tert-butyl(dimethyl)silyl]oxy]-13,21,23,27,27-pentamethyl-17-methylidene-11,26,28-trioxabicyclo[23.3.1]nonacosa-15,22-diene-12,20,29-trione is C=C1/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O[C@H](CCCC)[C@H](O[Si](C)(C)C(C)(C)C)CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@H]2OC(C)(C)O[C@H](C/C(C)=C/[C@@H](C)C(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C)C2=O.

What is the InChIKey of (1R,4R,6S,9R,10R,13R,14S,15E,18S,21R,22E,25R)-10-butyl-4,6,9,14,18-pentakis[[tert-butyl(dimethyl)silyl]oxy]-13,21,23,27,27-pentamethyl-17-methylidene-11,26,28-trioxabicyclo[23.3.1]nonacosa-15,22-diene-12,20,29-trione?

The InChIKey is CRDCQZLPKVWKAB-CRGAVHLUSA-N. The full InChI is InChI=1S/C66H128O11Si5/c1-33-34-35-54-55(76-81(29,30)64(15,16)17)40-37-50(73-78(23,24)61(6,7)8)44-51(74-79(25,26)62(9,10)11)38-41-56-59(68)58(72-66(21,22)71-56)43-46(2)42-48(4)52(67)45-57(77-82(31,32)65(18,19)20)47(3)36-39-53(49(5)60(69)70-54)75-80(27,28)63(12,13)14/h36,39,42,48-51,53-58H,3,33-35,37-38,40-41,43-45H2,1-2,4-32H3/b39-36+,46-42+/t48-,49-,50+,51-,53+,54-,55-,56-,57+,58-/m1/s1.

What are the key properties of (1R,4R,6S,9R,10R,13R,14S,15E,18S,21R,22E,25R)-10-butyl-4,6,9,14,18-pentakis[[tert-butyl(dimethyl)silyl]oxy]-13,21,23,27,27-pentamethyl-17-methylidene-11,26,28-trioxabicyclo[23.3.1]nonacosa-15,22-diene-12,20,29-trione?

(1R,4R,6S,9R,10R,13R,14S,15E,18S,21R,22E,25R)-10-butyl-4,6,9,14,18-pentakis[[tert-butyl(dimethyl)silyl]oxy]-13,21,23,27,27-pentamethyl-17-methylidene-11,26,28-trioxabicyclo[23.3.1]nonacosa-15,22-diene-12,20,29-trione has a molecular weight of 1238.17 g/mol, XLogP of 18.77, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,4R,6S,9R,10R,13R,14S,15E,18S,21R,22E,25R)-10-butyl-4,6,9,14,18-pentakis[[tert-butyl(dimethyl)silyl]oxy]-13,21,23,27,27-pentamethyl-17-methylidene-11,26,28-trioxabicyclo[23.3.1]nonacosa-15,22-diene-12,20,29-trione is sourced from PubChem (CID 11643857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).