23-butan-2-yl-17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17,22-diethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,20,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,23,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone

C196H344N24O36 — CID 160559268

About 23-butan-2-yl-17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17,22-diethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,20,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,23,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone

23-butan-2-yl-17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17,22-diethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,20,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,23,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone (PubChem CID 160559268) has the molecular formula C196H344N24O36 and a molecular weight of 3613.04 g/mol. Its IUPAC name is 23-butan-2-yl-17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17,22-diethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,20,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,23,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone.

Molecular Properties

• Compound Name: 23-butan-2-yl-17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17,22-diethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,20,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,23,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone
• PubChem CID: 160559268
• Molecular Formula: C196H344N24O36
• Molecular Weight: 3613.04 g/mol
• Exact Mass: 3610.58
• IUPAC Name: 23-butan-2-yl-17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17,22-diethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,20,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,23,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone
• SMILES: C/C=C/CC(C)C(O)C1C(=O)CC(CC)C(=O)N(C)C(C)C(=O)N(CC)C(C(C)C)C(=O)CC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)CC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C.C/C=C/CC(C)C(O)C1C(=O)CC(CC)C(=O)N(C)CC(=O)N(C)C(C(C)CC)C(=O)CC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)CC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C.C/C=C/CC(C)C(O)C1C(=O)CC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)CC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)CC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C
• InChI: InChI=1S/C66H116N8O12.2C65H114N8O12/c1-26-29-30-43(16)58(78)57-53(76)35-47(27-2)62(82)68(20)46(19)61(81)74(28-3)55(41(12)13)54(77)36-48(40(10)11)63(83)69(21)49(31-37(4)5)52(75)34-44(17)59(79)67-45(18)60(80)70(22)50(32-38(6)7)64(84)71(23)51(33-39(8)9)65(85)72(24)56(42(14)15)66(86)73(57)25;1-25-27-28-43(15)58(78)57-54(76)34-46(26-2)61(81)67(18)36-55(77)68(19)48(29-37(3)4)53(75)35-47(41(11)12)62(82)69(20)49(30-38(5)6)52(74)33-44(16)59(79)66-45(17)60(80)70(21)50(31-39(7)8)63(83)71(22)51(32-40(9)10)64(84)72(23)56(42(13)14)65(85)73(57)24;1-25-28-29-43(15)58(78)57-52(75)34-46(27-3)61(81)67(18)36-54(77)71(22)56(42(14)26-2)53(76)35-47(40(10)11)62(82)68(19)48(30-37(4)5)51(74)33-44(16)59(79)66-45(17)60(80)69(20)49(31-38(6)7)63(83)70(21)50(32-39(8)9)64(84)72(23)55(41(12)13)65(85)73(57)24/h26,29,37-51,55-58,78H,27-28,30-36H2,1-25H3,(H,67,79);25,27,37-51,56-58,78H,26,28-36H2,1-24H3,(H,66,79);25,28,37-50,55-58,78H,26-27,29-36H2,1-24H3,(H,66,79)/b29-26+;27-25+;28-25+
• InChIKey: QZCAMMHJSBDGPX-VCIWQNCHSA-N
• XLogP: 20.01
• TPSA: 728.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 45
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3613.04
LogP ≤ 5	20.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 23-butan-2-yl-17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17,22-diethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,20,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,23,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?

The IUPAC name of 23-butan-2-yl-17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17,22-diethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,20,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,23,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone (CID 160559268) is 23-butan-2-yl-17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17,22-diethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,20,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,23,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone.

What is the SMILES notation for 23-butan-2-yl-17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17,22-diethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,20,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,23,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?

The canonical SMILES for 23-butan-2-yl-17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17,22-diethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,20,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,23,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone is C/C=C/CC(C)C(O)C1C(=O)CC(CC)C(=O)N(C)C(C)C(=O)N(CC)C(C(C)C)C(=O)CC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)CC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C.C/C=C/CC(C)C(O)C1C(=O)CC(CC)C(=O)N(C)CC(=O)N(C)C(C(C)CC)C(=O)CC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)CC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C.C/C=C/CC(C)C(O)C1C(=O)CC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)CC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)CC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C.

What is the InChIKey of 23-butan-2-yl-17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17,22-diethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,20,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,23,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?

The InChIKey is QZCAMMHJSBDGPX-VCIWQNCHSA-N. The full InChI is InChI=1S/C66H116N8O12.2C65H114N8O12/c1-26-29-30-43(16)58(78)57-53(76)35-47(27-2)62(82)68(20)46(19)61(81)74(28-3)55(41(12)13)54(77)36-48(40(10)11)63(83)69(21)49(31-37(4)5)52(75)34-44(17)59(79)67-45(18)60(80)70(22)50(32-38(6)7)64(84)71(23)51(33-39(8)9)65(85)72(24)56(42(14)15)66(86)73(57)25;1-25-27-28-43(15)58(78)57-54(76)34-46(26-2)61(81)67(18)36-55(77)68(19)48(29-37(3)4)53(75)35-47(41(11)12)62(82)69(20)49(30-38(5)6)52(74)33-44(16)59(79)66-45(17)60(80)70(21)50(31-39(7)8)63(83)71(22)51(32-40(9)10)64(84)72(23)56(42(13)14)65(85)73(57)24;1-25-28-29-43(15)58(78)57-52(75)34-46(27-3)61(81)67(18)36-54(77)71(22)56(42(14)26-2)53(76)35-47(40(10)11)62(82)68(19)48(30-37(4)5)51(74)33-44(16)59(79)66-45(17)60(80)69(20)49(31-38(6)7)63(83)70(21)50(32-39(8)9)64(84)72(23)55(41(12)13)65(85)73(57)24/h26,29,37-51,55-58,78H,27-28,30-36H2,1-25H3,(H,67,79);25,27,37-51,56-58,78H,26,28-36H2,1-24H3,(H,66,79);25,28,37-50,55-58,78H,26-27,29-36H2,1-24H3,(H,66,79)/b29-26+;27-25+;28-25+.

What are the key properties of 23-butan-2-yl-17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17,22-diethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,20,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,23,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?

23-butan-2-yl-17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17,22-diethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,20,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,23,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone has a molecular weight of 3613.04 g/mol, XLogP of 20.01, 45 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 23-butan-2-yl-17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17,22-diethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,20,28,32-nonamethyl-5,8,29-tris(2-methylpropyl)-11,23,26-tri(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone is sourced from PubChem (CID 160559268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).