(3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

C61H108N10O12 — CID 149169858

About (3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

(3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (PubChem CID 149169858) has the molecular formula C61H108N10O12 and a molecular weight of 1173.59 g/mol. Its IUPAC name is (3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.

Molecular Properties

• Compound Name: (3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
• PubChem CID: 149169858
• Molecular Formula: C61H108N10O12
• Molecular Weight: 1173.59 g/mol
• Exact Mass: 1172.81
• IUPAC Name: (3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
• SMILES: CC[C@H]1NC(=O)[C@@H]([C@@H]2OCC[C@H]2C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)CC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O
• InChI: InChI=1S/C61H108N10O12/c1-24-42-57(78)65(17)32-48(73)66(18)43(27-33(2)3)54(75)64-49(37(10)11)60(81)67(19)44(28-34(4)5)53(74)62-41(16)47(72)31-40(15)56(77)68(20)45(29-35(6)7)58(79)69(21)46(30-36(8)9)59(80)70(22)50(38(12)13)61(82)71(23)51(55(76)63-42)52-39(14)25-26-83-52/h33-46,49-52H,24-32H2,1-23H3,(H,62,74)(H,63,76)(H,64,75)/t39-,40-,41-,42-,43+,44-,45-,46-,49-,50-,51-,52-/m1/s1
• InChIKey: WYVNBFMEYIQMBJ-LKUVJBKLSA-N
• XLogP: 3.82
• TPSA: 255.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1173.59
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

The IUPAC name of (3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (CID 149169858) is (3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.

What is the SMILES notation for (3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

The canonical SMILES for (3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone is CC[C@H]1NC(=O)[C@@H]([C@@H]2OCC[C@H]2C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)CC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O.

What is the InChIKey of (3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

The InChIKey is WYVNBFMEYIQMBJ-LKUVJBKLSA-N. The full InChI is InChI=1S/C61H108N10O12/c1-24-42-57(78)65(17)32-48(73)66(18)43(27-33(2)3)54(75)64-49(37(10)11)60(81)67(19)44(28-34(4)5)53(74)62-41(16)47(72)31-40(15)56(77)68(20)45(29-35(6)7)58(79)69(21)46(30-36(8)9)59(80)70(22)50(38(12)13)61(82)71(23)51(55(76)63-42)52-39(14)25-26-83-52/h33-46,49-52H,24-32H2,1-23H3,(H,62,74)(H,63,76)(H,64,75)/t39-,40-,41-,42-,43+,44-,45-,46-,49-,50-,51-,52-/m1/s1.

What are the key properties of (3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

(3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone has a molecular weight of 1173.59 g/mol, XLogP of 3.82, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone is sourced from PubChem (CID 149169858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).