(Z)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]but-2-enamide;(2Z,4Z,6E,8S)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]-6-methyl-8-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2S)-5-methyl-2-[(2S,3E,5Z)-4-methylhepta-3,5-dien-2-yl]-2,3-dihydropyran-6-one

C96H132N2O10Si2 — CID 123546157

About (Z)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]but-2-enamide;(2Z,4Z,6E,8S)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]-6-methyl-8-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2S)-5-methyl-2-[(2S,3E,5Z)-4-methylhepta-3,5-dien-2-yl]-2,3-dihydropyran-6-one

(Z)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]but-2-enamide;(2Z,4Z,6E,8S)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]-6-methyl-8-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2S)-5-methyl-2-[(2S,3E,5Z)-4-methylhepta-3,5-dien-2-yl]-2,3-dihydropyran-6-one (PubChem CID 123546157) has the molecular formula C96H132N2O10Si2 and a molecular weight of 1530.29 g/mol. Its IUPAC name is (Z)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]but-2-enamide;(2Z,4Z,6E,8S)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]-6-methyl-8-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2S)-5-methyl-2-[(2S,3E,5Z)-4-methylhepta-3,5-dien-2-yl]-2,3-dihydropyran-6-one.

Molecular Properties

• Compound Name: (Z)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]but-2-enamide;(2Z,4Z,6E,8S)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]-6-methyl-8-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2S)-5-methyl-2-[(2S,3E,5Z)-4-methylhepta-3,5-dien-2-yl]-2,3-dihydropyran-6-one
• PubChem CID: 123546157
• Molecular Formula: C96H132N2O10Si2
• Molecular Weight: 1530.29 g/mol
• Exact Mass: 1528.94
• IUPAC Name: (Z)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]but-2-enamide;(2Z,4Z,6E,8S)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]-6-methyl-8-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2S)-5-methyl-2-[(2S,3E,5Z)-4-methylhepta-3,5-dien-2-yl]-2,3-dihydropyran-6-one
• SMILES: C/C=C\C(C)=C\[C@H](C)[C@@H]1CC=C(C)C(=O)O1.C/C=C\C[C@@H](C/C=C\CC(=O)[C@@H](NC(=O)/C=C\C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C/C=C\C[C@@H](C/C=C\CC(=O)[C@@H](NC(=O)/C=C\C=C/C(C)=C/[C@H](C)[C@@H]1CC=C(C)C(=O)O1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C47H63NO5Si.C35H49NO3Si.C14H20O2/c1-11-12-24-38(53-54(47(8,9)10,39-26-15-13-16-27-39)40-28-17-14-18-29-40)25-20-21-30-41(49)44(46(5,6)7)48-43(50)31-22-19-23-35(2)34-37(4)42-33-32-36(3)45(51)52-42;1-9-11-21-28(22-18-19-27-31(37)33(34(3,4)5)36-32(38)20-10-2)39-40(35(6,7)8,29-23-14-12-15-24-29)30-25-16-13-17-26-30;1-5-6-10(2)9-12(4)13-8-7-11(3)14(15)16-13/h11-23,26-29,31-32,34,37-38,42,44H,24-25,30,33H2,1-10H3,(H,48,50);9-20,23-26,28,33H,21-22,27H2,1-8H3,(H,36,38);5-7,9,12-13H,8H2,1-4H3/b12-11-,21-20-,23-19-,31-22-,35-34+;11-9-,19-18-,20-10-;6-5-,10-9+/t37-,38-,42-,44+;28-,33+;12-,13-/m000/s1
• InChIKey: CTRDBDLSRZEXER-ITQRKPAZSA-N
• XLogP: 19.61
• TPSA: 163.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 33
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1530.29
LogP ≤ 5	19.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]but-2-enamide;(2Z,4Z,6E,8S)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]-6-methyl-8-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2S)-5-methyl-2-[(2S,3E,5Z)-4-methylhepta-3,5-dien-2-yl]-2,3-dihydropyran-6-one?

The IUPAC name of (Z)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]but-2-enamide;(2Z,4Z,6E,8S)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]-6-methyl-8-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2S)-5-methyl-2-[(2S,3E,5Z)-4-methylhepta-3,5-dien-2-yl]-2,3-dihydropyran-6-one (CID 123546157) is (Z)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]but-2-enamide;(2Z,4Z,6E,8S)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]-6-methyl-8-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2S)-5-methyl-2-[(2S,3E,5Z)-4-methylhepta-3,5-dien-2-yl]-2,3-dihydropyran-6-one.

What is the SMILES notation for (Z)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]but-2-enamide;(2Z,4Z,6E,8S)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]-6-methyl-8-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2S)-5-methyl-2-[(2S,3E,5Z)-4-methylhepta-3,5-dien-2-yl]-2,3-dihydropyran-6-one?

The canonical SMILES for (Z)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]but-2-enamide;(2Z,4Z,6E,8S)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]-6-methyl-8-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2S)-5-methyl-2-[(2S,3E,5Z)-4-methylhepta-3,5-dien-2-yl]-2,3-dihydropyran-6-one is C/C=C\C(C)=C\[C@H](C)[C@@H]1CC=C(C)C(=O)O1.C/C=C\C[C@@H](C/C=C\CC(=O)[C@@H](NC(=O)/C=C\C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.C/C=C\C[C@@H](C/C=C\CC(=O)[C@@H](NC(=O)/C=C\C=C/C(C)=C/[C@H](C)[C@@H]1CC=C(C)C(=O)O1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of (Z)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]but-2-enamide;(2Z,4Z,6E,8S)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]-6-methyl-8-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2S)-5-methyl-2-[(2S,3E,5Z)-4-methylhepta-3,5-dien-2-yl]-2,3-dihydropyran-6-one?

The InChIKey is CTRDBDLSRZEXER-ITQRKPAZSA-N. The full InChI is InChI=1S/C47H63NO5Si.C35H49NO3Si.C14H20O2/c1-11-12-24-38(53-54(47(8,9)10,39-26-15-13-16-27-39)40-28-17-14-18-29-40)25-20-21-30-41(49)44(46(5,6)7)48-43(50)31-22-19-23-35(2)34-37(4)42-33-32-36(3)45(51)52-42;1-9-11-21-28(22-18-19-27-31(37)33(34(3,4)5)36-32(38)20-10-2)39-40(35(6,7)8,29-23-14-12-15-24-29)30-25-16-13-17-26-30;1-5-6-10(2)9-12(4)13-8-7-11(3)14(15)16-13/h11-23,26-29,31-32,34,37-38,42,44H,24-25,30,33H2,1-10H3,(H,48,50);9-20,23-26,28,33H,21-22,27H2,1-8H3,(H,36,38);5-7,9,12-13H,8H2,1-4H3/b12-11-,21-20-,23-19-,31-22-,35-34+;11-9-,19-18-,20-10-;6-5-,10-9+/t37-,38-,42-,44+;28-,33+;12-,13-/m000/s1.

What are the key properties of (Z)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]but-2-enamide;(2Z,4Z,6E,8S)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]-6-methyl-8-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2S)-5-methyl-2-[(2S,3E,5Z)-4-methylhepta-3,5-dien-2-yl]-2,3-dihydropyran-6-one?

(Z)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]but-2-enamide;(2Z,4Z,6E,8S)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]-6-methyl-8-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2S)-5-methyl-2-[(2S,3E,5Z)-4-methylhepta-3,5-dien-2-yl]-2,3-dihydropyran-6-one has a molecular weight of 1530.29 g/mol, XLogP of 19.61, 33 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]but-2-enamide;(2Z,4Z,6E,8S)-N-[(3S,6Z,9S,11Z)-9-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-4-oxotrideca-6,11-dien-3-yl]-6-methyl-8-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6-trienamide;(2S)-5-methyl-2-[(2S,3E,5Z)-4-methylhepta-3,5-dien-2-yl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 123546157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).