30-(1-hydroxyethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

C60H107N11O13 — CID 75015850

About 30-(1-hydroxyethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

30-(1-hydroxyethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (PubChem CID 75015850) has the molecular formula C60H107N11O13 and a molecular weight of 1190.58 g/mol. Its IUPAC name is 30-(1-hydroxyethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.

Molecular Properties

• Compound Name: 30-(1-hydroxyethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
• PubChem CID: 75015850
• Molecular Formula: C60H107N11O13
• Molecular Weight: 1190.58 g/mol
• Exact Mass: 1189.80
• IUPAC Name: 30-(1-hydroxyethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
• SMILES: CC=CCC(C)C(O)C1C(=O)NC(C(C)O)C(=O)N(C)CC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(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/C60H107N11O13/c1-24-25-26-37(14)50(74)49-54(78)65-47(40(17)72)58(82)66(18)30-44(73)63-45(34(8)9)53(77)64-46(35(10)11)59(83)67(19)41(27-31(2)3)52(76)61-38(15)51(75)62-39(16)55(79)68(20)42(28-32(4)5)56(80)69(21)43(29-33(6)7)57(81)70(22)48(36(12)13)60(84)71(49)23/h24-25,31-43,45-50,72,74H,26-30H2,1-23H3,(H,61,76)(H,62,75)(H,63,73)(H,64,77)(H,65,78)
• InChIKey: IMJWIFHWHLWFDD-UHFFFAOYSA-N
• XLogP: 1.51
• TPSA: 307.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1190.58
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 30-(1-hydroxyethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

The IUPAC name of 30-(1-hydroxyethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (CID 75015850) is 30-(1-hydroxyethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.

What is the SMILES notation for 30-(1-hydroxyethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

The canonical SMILES for 30-(1-hydroxyethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone is CC=CCC(C)C(O)C1C(=O)NC(C(C)O)C(=O)N(C)CC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(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 30-(1-hydroxyethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

The InChIKey is IMJWIFHWHLWFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H107N11O13/c1-24-25-26-37(14)50(74)49-54(78)65-47(40(17)72)58(82)66(18)30-44(73)63-45(34(8)9)53(77)64-46(35(10)11)59(83)67(19)41(27-31(2)3)52(76)61-38(15)51(75)62-39(16)55(79)68(20)42(28-32(4)5)56(80)69(21)43(29-33(6)7)57(81)70(22)48(36(12)13)60(84)71(49)23/h24-25,31-43,45-50,72,74H,26-30H2,1-23H3,(H,61,76)(H,62,75)(H,63,73)(H,64,77)(H,65,78).

What are the key properties of 30-(1-hydroxyethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?

30-(1-hydroxyethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone has a molecular weight of 1190.58 g/mol, XLogP of 1.51, 14 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 30-(1-hydroxyethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone is sourced from PubChem (CID 75015850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).