(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-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

C62H110N10O13 — CID 157125846

About (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-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,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-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 157125846) has the molecular formula C62H110N10O13 and a molecular weight of 1203.62 g/mol. Its IUPAC name is (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-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,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-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: 157125846
• Molecular Formula: C62H110N10O13
• Molecular Weight: 1203.62 g/mol
• Exact Mass: 1202.83
• IUPAC Name: (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-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]2OC(O)C[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)[C@@H](C)N(C)C1=O
• InChI: InChI=1S/C62H110N10O13/c1-25-42-58(80)66(18)41(17)57(79)67(19)44(27-33(4)5)54(76)65-49(36(10)11)61(83)68(20)43(26-32(2)3)53(75)63-40(16)47(73)30-39(15)56(78)69(21)45(28-34(6)7)59(81)70(22)46(29-35(8)9)60(82)71(23)50(37(12)13)62(84)72(24)51(55(77)64-42)52-38(14)31-48(74)85-52/h32-46,48-52,74H,25-31H2,1-24H3,(H,63,75)(H,64,77)(H,65,76)/t38-,39-,40-,41-,42-,43-,44+,45-,46-,48?,49-,50-,51-,52-/m1/s1
• InChIKey: IEXSQMXDKRABJQ-ZCPHUMNPSA-N
• XLogP: 3.53
• TPSA: 276.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1203.62
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-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,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-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 157125846) is (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-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,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-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,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-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]2OC(O)C[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)[C@@H](C)N(C)C1=O.

What is the InChIKey of (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-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 IEXSQMXDKRABJQ-ZCPHUMNPSA-N. The full InChI is InChI=1S/C62H110N10O13/c1-25-42-58(80)66(18)41(17)57(79)67(19)44(27-33(4)5)54(76)65-49(36(10)11)61(83)68(20)43(26-32(2)3)53(75)63-40(16)47(73)30-39(15)56(78)69(21)45(28-34(6)7)59(81)70(22)46(29-35(8)9)60(82)71(23)50(37(12)13)62(84)72(24)51(55(77)64-42)52-38(14)31-48(74)85-52/h32-46,48-52,74H,25-31H2,1-24H3,(H,63,75)(H,64,77)(H,65,76)/t38-,39-,40-,41-,42-,43-,44+,45-,46-,48?,49-,50-,51-,52-/m1/s1.

What are the key properties of (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-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,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-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 1203.62 g/mol, XLogP of 3.53, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-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 157125846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).