(2S,5S,8S,14S,17R,20S,23S,26S,29R,32S)-14,17-diethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-20-[(2S)-1-methoxypropan-2-yl]-1,4,7,10,16,19,25,29,32-nonamethyl-2,5,26-tris(2-methylpropyl)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone

C67H118N8O13 — CID 147434280

About (2S,5S,8S,14S,17R,20S,23S,26S,29R,32S)-14,17-diethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-20-[(2S)-1-methoxypropan-2-yl]-1,4,7,10,16,19,25,29,32-nonamethyl-2,5,26-tris(2-methylpropyl)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone

(2S,5S,8S,14S,17R,20S,23S,26S,29R,32S)-14,17-diethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-20-[(2S)-1-methoxypropan-2-yl]-1,4,7,10,16,19,25,29,32-nonamethyl-2,5,26-tris(2-methylpropyl)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone (PubChem CID 147434280) has the molecular formula C67H118N8O13 and a molecular weight of 1243.72 g/mol. Its IUPAC name is (2S,5S,8S,14S,17R,20S,23S,26S,29R,32S)-14,17-diethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-20-[(2S)-1-methoxypropan-2-yl]-1,4,7,10,16,19,25,29,32-nonamethyl-2,5,26-tris(2-methylpropyl)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone.

Molecular Properties

• Compound Name: (2S,5S,8S,14S,17R,20S,23S,26S,29R,32S)-14,17-diethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-20-[(2S)-1-methoxypropan-2-yl]-1,4,7,10,16,19,25,29,32-nonamethyl-2,5,26-tris(2-methylpropyl)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone
• PubChem CID: 147434280
• Molecular Formula: C67H118N8O13
• Molecular Weight: 1243.72 g/mol
• Exact Mass: 1242.88
• IUPAC Name: (2S,5S,8S,14S,17R,20S,23S,26S,29R,32S)-14,17-diethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-20-[(2S)-1-methoxypropan-2-yl]-1,4,7,10,16,19,25,29,32-nonamethyl-2,5,26-tris(2-methylpropyl)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone
• SMILES: C/C=C/C[C@@H](C)[C@@H](O)C1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](CC)C(=O)N(C)[C@@H]([C@H](C)COC)C(=O)C[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@@H](C)C(=O)C[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C
• InChI: InChI=1S/C67H118N8O13/c1-26-29-30-43(14)59(79)58-60(80)68-48(27-2)63(83)69(18)49(28-3)64(84)74(23)57(46(17)37-88-25)55(78)36-47(41(10)11)62(82)70(19)50(31-38(4)5)54(77)34-44(15)53(76)35-45(16)61(81)71(20)51(32-39(6)7)65(85)72(21)52(33-40(8)9)66(86)73(22)56(42(12)13)67(87)75(58)24/h26,29,38-52,56-59,79H,27-28,30-37H2,1-25H3,(H,68,80)/b29-26+/t43-,44-,45+,46-,47+,48+,49-,50+,51+,52+,56+,57+,58?,59-/m1/s1
• InChIKey: DUYIFVZCOZBYSJ-PEFAXWQMSA-N
• XLogP: 6.56
• TPSA: 251.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1243.72
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	2
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 (2S,5S,8S,14S,17R,20S,23S,26S,29R,32S)-14,17-diethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-20-[(2S)-1-methoxypropan-2-yl]-1,4,7,10,16,19,25,29,32-nonamethyl-2,5,26-tris(2-methylpropyl)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?

The IUPAC name of (2S,5S,8S,14S,17R,20S,23S,26S,29R,32S)-14,17-diethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-20-[(2S)-1-methoxypropan-2-yl]-1,4,7,10,16,19,25,29,32-nonamethyl-2,5,26-tris(2-methylpropyl)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone (CID 147434280) is (2S,5S,8S,14S,17R,20S,23S,26S,29R,32S)-14,17-diethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-20-[(2S)-1-methoxypropan-2-yl]-1,4,7,10,16,19,25,29,32-nonamethyl-2,5,26-tris(2-methylpropyl)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone.

What is the SMILES notation for (2S,5S,8S,14S,17R,20S,23S,26S,29R,32S)-14,17-diethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-20-[(2S)-1-methoxypropan-2-yl]-1,4,7,10,16,19,25,29,32-nonamethyl-2,5,26-tris(2-methylpropyl)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?

The canonical SMILES for (2S,5S,8S,14S,17R,20S,23S,26S,29R,32S)-14,17-diethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-20-[(2S)-1-methoxypropan-2-yl]-1,4,7,10,16,19,25,29,32-nonamethyl-2,5,26-tris(2-methylpropyl)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone is C/C=C/C[C@@H](C)[C@@H](O)C1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](CC)C(=O)N(C)[C@@H]([C@H](C)COC)C(=O)C[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@@H](C)C(=O)C[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C.

What is the InChIKey of (2S,5S,8S,14S,17R,20S,23S,26S,29R,32S)-14,17-diethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-20-[(2S)-1-methoxypropan-2-yl]-1,4,7,10,16,19,25,29,32-nonamethyl-2,5,26-tris(2-methylpropyl)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?

The InChIKey is DUYIFVZCOZBYSJ-PEFAXWQMSA-N. The full InChI is InChI=1S/C67H118N8O13/c1-26-29-30-43(14)59(79)58-60(80)68-48(27-2)63(83)69(18)49(28-3)64(84)74(23)57(46(17)37-88-25)55(78)36-47(41(10)11)62(82)70(19)50(31-38(4)5)54(77)34-44(15)53(76)35-45(16)61(81)71(20)51(32-39(6)7)65(85)72(21)52(33-40(8)9)66(86)73(22)56(42(12)13)67(87)75(58)24/h26,29,38-52,56-59,79H,27-28,30-37H2,1-25H3,(H,68,80)/b29-26+/t43-,44-,45+,46-,47+,48+,49-,50+,51+,52+,56+,57+,58?,59-/m1/s1.

What are the key properties of (2S,5S,8S,14S,17R,20S,23S,26S,29R,32S)-14,17-diethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-20-[(2S)-1-methoxypropan-2-yl]-1,4,7,10,16,19,25,29,32-nonamethyl-2,5,26-tris(2-methylpropyl)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?

(2S,5S,8S,14S,17R,20S,23S,26S,29R,32S)-14,17-diethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-20-[(2S)-1-methoxypropan-2-yl]-1,4,7,10,16,19,25,29,32-nonamethyl-2,5,26-tris(2-methylpropyl)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone has a molecular weight of 1243.72 g/mol, XLogP of 6.56, 17 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S,8S,14S,17R,20S,23S,26S,29R,32S)-14,17-diethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-20-[(2S)-1-methoxypropan-2-yl]-1,4,7,10,16,19,25,29,32-nonamethyl-2,5,26-tris(2-methylpropyl)-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone is sourced from PubChem (CID 147434280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).