2-[(1R,3S,5R,7R,8S,10R,12R,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-3,40,46-trimethyl-8,13,47-tris(triethylsilyloxy)-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]henhexacontan-17-yl]ethanol

C70H120O18Si3 — CID 11412276

About 2-[(1R,3S,5R,7R,8S,10R,12R,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-3,40,46-trimethyl-8,13,47-tris(triethylsilyloxy)-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]henhexacontan-17-yl]ethanol

2-[(1R,3S,5R,7R,8S,10R,12R,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-3,40,46-trimethyl-8,13,47-tris(triethylsilyloxy)-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]henhexacontan-17-yl]ethanol (PubChem CID 11412276) has the molecular formula C70H120O18Si3 and a molecular weight of 1333.97 g/mol. Its IUPAC name is 2-[(1R,3S,5R,7R,8S,10R,12R,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-3,40,46-trimethyl-8,13,47-tris(triethylsilyloxy)-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]henhexacontan-17-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(1R,3S,5R,7R,8S,10R,12R,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-3,40,46-trimethyl-8,13,47-tris(triethylsilyloxy)-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]henhexacontan-17-yl]ethanol
• PubChem CID: 11412276
• Molecular Formula: C70H120O18Si3
• Molecular Weight: 1333.97 g/mol
• Exact Mass: 1332.78
• IUPAC Name: 2-[(1R,3S,5R,7R,8S,10R,12R,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-3,40,46-trimethyl-8,13,47-tris(triethylsilyloxy)-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]henhexacontan-17-yl]ethanol
• SMILES: CC[Si](CC)(CC)O[C@H]1C[C@H]2O[C@@H](CCO)C[C@@H]2O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H]5O[C@@H]6CC[C@@H]7O[C@@H]8C[C@@H]9O[C@@H]%10C[C@]%11(C)O[C@@H]%12C[C@@H]%13O[C@H](C)[C@@H](O[Si](CC)(CC)CC)C[C@H]%13O[C@H]%12CC[C@H]%11O[C@H]%10C[C@H]9O[C@H]8C[C@H]7O[C@@]6(C)C[C@H]5O[C@H]4[C@@H](O[Si](CC)(CC)CC)C[C@H]3O[C@@H]12
• InChI: InChI=1S/C70H120O18Si3/c1-13-89(14-2,15-3)86-44-29-48-46(72-40(44)10)32-57-42(74-48)22-24-65-69(11,84-57)38-63-55(80-65)31-50-51(79-63)30-49-52(76-50)33-58-43(75-49)23-25-66-70(12,85-58)39-64-56(81-66)35-60-68(83-64)62(88-91(19-7,20-8)21-9)37-54-53(78-60)34-59-67(82-54)61(87-90(16-4,17-5)18-6)36-47-45(77-59)28-41(73-47)26-27-71/h40-68,71H,13-39H2,1-12H3/t40-,41+,42+,43+,44+,45+,46+,47-,48-,49-,50-,51+,52+,53+,54-,55+,56+,57-,58-,59-,60-,61+,62+,63-,64-,65-,66-,67-,68-,69+,70+/m1/s1
• InChIKey: ABXCOUVKFATSDC-FNIGAICASA-N
• XLogP: 11.33
• TPSA: 177.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1333.97
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S,5R,7R,8S,10R,12R,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-3,40,46-trimethyl-8,13,47-tris(triethylsilyloxy)-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]henhexacontan-17-yl]ethanol?

The IUPAC name of 2-[(1R,3S,5R,7R,8S,10R,12R,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-3,40,46-trimethyl-8,13,47-tris(triethylsilyloxy)-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]henhexacontan-17-yl]ethanol (CID 11412276) is 2-[(1R,3S,5R,7R,8S,10R,12R,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-3,40,46-trimethyl-8,13,47-tris(triethylsilyloxy)-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]henhexacontan-17-yl]ethanol.

What is the SMILES notation for 2-[(1R,3S,5R,7R,8S,10R,12R,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-3,40,46-trimethyl-8,13,47-tris(triethylsilyloxy)-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]henhexacontan-17-yl]ethanol?

The canonical SMILES for 2-[(1R,3S,5R,7R,8S,10R,12R,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-3,40,46-trimethyl-8,13,47-tris(triethylsilyloxy)-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]henhexacontan-17-yl]ethanol is CC[Si](CC)(CC)O[C@H]1C[C@H]2O[C@@H](CCO)C[C@@H]2O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H]5O[C@@H]6CC[C@@H]7O[C@@H]8C[C@@H]9O[C@@H]%10C[C@]%11(C)O[C@@H]%12C[C@@H]%13O[C@H](C)[C@@H](O[Si](CC)(CC)CC)C[C@H]%13O[C@H]%12CC[C@H]%11O[C@H]%10C[C@H]9O[C@H]8C[C@H]7O[C@@]6(C)C[C@H]5O[C@H]4[C@@H](O[Si](CC)(CC)CC)C[C@H]3O[C@@H]12.

What is the InChIKey of 2-[(1R,3S,5R,7R,8S,10R,12R,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-3,40,46-trimethyl-8,13,47-tris(triethylsilyloxy)-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]henhexacontan-17-yl]ethanol?

The InChIKey is ABXCOUVKFATSDC-FNIGAICASA-N. The full InChI is InChI=1S/C70H120O18Si3/c1-13-89(14-2,15-3)86-44-29-48-46(72-40(44)10)32-57-42(74-48)22-24-65-69(11,84-57)38-63-55(80-65)31-50-51(79-63)30-49-52(76-50)33-58-43(75-49)23-25-66-70(12,85-58)39-64-56(81-66)35-60-68(83-64)62(88-91(19-7,20-8)21-9)37-54-53(78-60)34-59-67(82-54)61(87-90(16-4,17-5)18-6)36-47-45(77-59)28-41(73-47)26-27-71/h40-68,71H,13-39H2,1-12H3/t40-,41+,42+,43+,44+,45+,46+,47-,48-,49-,50-,51+,52+,53+,54-,55+,56+,57-,58-,59-,60-,61+,62+,63-,64-,65-,66-,67-,68-,69+,70+/m1/s1.

What are the key properties of 2-[(1R,3S,5R,7R,8S,10R,12R,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-3,40,46-trimethyl-8,13,47-tris(triethylsilyloxy)-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]henhexacontan-17-yl]ethanol?

2-[(1R,3S,5R,7R,8S,10R,12R,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-3,40,46-trimethyl-8,13,47-tris(triethylsilyloxy)-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]henhexacontan-17-yl]ethanol has a molecular weight of 1333.97 g/mol, XLogP of 11.33, 17 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,3S,5R,7R,8S,10R,12R,13S,15R,17S,19S,21R,23S,25R,27S,29R,32S,34R,36S,38R,40S,42R,44S,46R,47S,49R,51S,54R,56S,58R,60S)-3,40,46-trimethyl-8,13,47-tris(triethylsilyloxy)-2,6,11,16,20,24,28,33,37,41,45,50,55,59-tetradecaoxatetradecacyclo[30.29.0.03,29.05,27.07,25.010,23.012,21.015,19.034,60.036,58.038,56.040,54.042,51.044,49]henhexacontan-17-yl]ethanol is sourced from PubChem (CID 11412276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).