(2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide

C40H63NO5Si2 — CID 11422592

IUPAC(2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide
SMILESCC/C=C\C=C/C=C\C(=O)N/C=C/C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C=C/Cc2cccc(O[Si](C)(C)C(C)(C)C)c2C(=O)O1
InChIInChI=1S/C40H63NO5Si2/c1-13-14-15-16-17-18-28-36(42)41-29-22-26-33-30-35(46-48(11,12)40(6,7)8)31(2)23-19-20-24-32-25-21-27-34(37(32)38(43)44-33)45-47(9,10)39(3,4)5/h14-22,25,27-29,31,33,35H,13,23-24,26,30H2,1-12H3,(H,41,42)/b15-14-,17-16-,20-19+,28-18-,29-22+/t31-,33-,35+/m0/s1
InChIKeyRXYDQTSLLXMILI-TXNAVHRUSA-N
MW694.12 g/mol
LogP10.61
Rot. Bonds11

About (2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide

(2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide (PubChem CID 11422592) has the molecular formula C40H63NO5Si2 and a molecular weight of 694.12 g/mol. Its IUPAC name is (2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide.

Molecular Properties

Compound Name(2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide
PubChem CID11422592
Molecular FormulaC40H63NO5Si2
Molecular Weight694.12 g/mol
Exact Mass693.42
IUPAC Name(2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide
SMILESCC/C=C\C=C/C=C\C(=O)N/C=C/C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C=C/Cc2cccc(O[Si](C)(C)C(C)(C)C)c2C(=O)O1
InChIInChI=1S/C40H63NO5Si2/c1-13-14-15-16-17-18-28-36(42)41-29-22-26-33-30-35(46-48(11,12)40(6,7)8)31(2)23-19-20-24-32-25-21-27-34(37(32)38(43)44-33)45-47(9,10)39(3,4)5/h14-22,25,27-29,31,33,35H,13,23-24,26,30H2,1-12H3,(H,41,42)/b15-14-,17-16-,20-19+,28-18-,29-22+/t31-,33-,35+/m0/s1
InChIKeyRXYDQTSLLXMILI-TXNAVHRUSA-N
XLogP10.61
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.12
LogP ≤ 510.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze (2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide?
The IUPAC name of (2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide (CID 11422592) is (2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide.
What is the SMILES notation for (2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide?
The canonical SMILES for (2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide is CC/C=C\C=C/C=C\C(=O)N/C=C/C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C=C/Cc2cccc(O[Si](C)(C)C(C)(C)C)c2C(=O)O1.
What is the InChIKey of (2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide?
The InChIKey is RXYDQTSLLXMILI-TXNAVHRUSA-N. The full InChI is InChI=1S/C40H63NO5Si2/c1-13-14-15-16-17-18-28-36(42)41-29-22-26-33-30-35(46-48(11,12)40(6,7)8)31(2)23-19-20-24-32-25-21-27-34(37(32)38(43)44-33)45-47(9,10)39(3,4)5/h14-22,25,27-29,31,33,35H,13,23-24,26,30H2,1-12H3,(H,41,42)/b15-14-,17-16-,20-19+,28-18-,29-22+/t31-,33-,35+/m0/s1.
What are the key properties of (2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide?
(2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide has a molecular weight of 694.12 g/mol, XLogP of 10.61, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-N-[(E)-3-[(4S,6R,7S,9E)-6,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-methyl-2-oxo-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-4-yl]prop-1-enyl]nona-2,4,6-trienamide is sourced from PubChem (CID 11422592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).