15-ethyl-30-(2-hydroxyethoxymethyl)-18-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,10,13,19,22,25,28,33-octamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,19,22,25,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

C66H117N9O14 — CID 159457478

About 15-ethyl-30-(2-hydroxyethoxymethyl)-18-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,10,13,19,22,25,28,33-octamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,19,22,25,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

15-ethyl-30-(2-hydroxyethoxymethyl)-18-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,10,13,19,22,25,28,33-octamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,19,22,25,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (PubChem CID 159457478) has the molecular formula C66H117N9O14 and a molecular weight of 1260.71 g/mol. Its IUPAC name is 15-ethyl-30-(2-hydroxyethoxymethyl)-18-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,10,13,19,22,25,28,33-octamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,19,22,25,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.

Molecular Properties

• Compound Name: 15-ethyl-30-(2-hydroxyethoxymethyl)-18-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,10,13,19,22,25,28,33-octamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,19,22,25,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
• PubChem CID: 159457478
• Molecular Formula: C66H117N9O14
• Molecular Weight: 1260.71 g/mol
• Exact Mass: 1259.87
• IUPAC Name: 15-ethyl-30-(2-hydroxyethoxymethyl)-18-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,10,13,19,22,25,28,33-octamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,19,22,25,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
• SMILES: 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)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)CC(COCCO)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/C66H117N9O14/c1-24-26-27-44(15)58(80)57-53(78)34-46(25-2)61(83)69(17)36-54(79)70(18)48(30-38(3)4)60(82)68-55(42(11)12)65(87)71(19)49(31-39(5)6)59(81)67-45(16)52(77)35-47(37-89-29-28-76)62(84)72(20)50(32-40(7)8)63(85)73(21)51(33-41(9)10)64(86)74(22)56(43(13)14)66(88)75(57)23/h24,26,38-51,55-58,76,80H,25,27-37H2,1-23H3,(H,67,81)(H,68,82)/b26-24+
• InChIKey: OATKKRZZWMAULL-SHHOIMCASA-N
• XLogP: 4.44
• TPSA: 284.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1260.71
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-ethyl-30-(2-hydroxyethoxymethyl)-18-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,10,13,19,22,25,28,33-octamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,19,22,25,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

The IUPAC name of 15-ethyl-30-(2-hydroxyethoxymethyl)-18-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,10,13,19,22,25,28,33-octamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,19,22,25,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (CID 159457478) is 15-ethyl-30-(2-hydroxyethoxymethyl)-18-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,10,13,19,22,25,28,33-octamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,19,22,25,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.

What is the SMILES notation for 15-ethyl-30-(2-hydroxyethoxymethyl)-18-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,10,13,19,22,25,28,33-octamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,19,22,25,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

The canonical SMILES for 15-ethyl-30-(2-hydroxyethoxymethyl)-18-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,10,13,19,22,25,28,33-octamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,19,22,25,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone is 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)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)CC(COCCO)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 15-ethyl-30-(2-hydroxyethoxymethyl)-18-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,10,13,19,22,25,28,33-octamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,19,22,25,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

The InChIKey is OATKKRZZWMAULL-SHHOIMCASA-N. The full InChI is InChI=1S/C66H117N9O14/c1-24-26-27-44(15)58(80)57-53(78)34-46(25-2)61(83)69(17)36-54(79)70(18)48(30-38(3)4)60(82)68-55(42(11)12)65(87)71(19)49(31-39(5)6)59(81)67-45(16)52(77)35-47(37-89-29-28-76)62(84)72(20)50(32-40(7)8)63(85)73(21)51(33-41(9)10)64(86)74(22)56(43(13)14)66(88)75(57)23/h24,26,38-51,55-58,76,80H,25,27-37H2,1-23H3,(H,67,81)(H,68,82)/b26-24+.

What are the key properties of 15-ethyl-30-(2-hydroxyethoxymethyl)-18-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,10,13,19,22,25,28,33-octamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,19,22,25,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

15-ethyl-30-(2-hydroxyethoxymethyl)-18-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,10,13,19,22,25,28,33-octamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,19,22,25,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone has a molecular weight of 1260.71 g/mol, XLogP of 4.44, 19 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 15-ethyl-30-(2-hydroxyethoxymethyl)-18-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,10,13,19,22,25,28,33-octamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,19,22,25,28-nonazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone is sourced from PubChem (CID 159457478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).