magnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride

C65H124Cl2MgN4O17Si2 — CID 157233240

IUPACmagnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride
SMILESC#CC.C=CC/C(C)=C\C[C@H](O)C(=O)N(C)OC.C=CC/C(C)=C\C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N(C)OC.C=CC/C(C)=C\C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O.C=CCC.CNOC.CON(C)C(=O)[C@@H]1CO1.Cl.O=C(O)[C@@H]1CO1.OC[C@@H]1CO1.[CH3-].[Cl-].[Mg+2]
InChIInChI=1S/C17H33NO3Si.C16H30O2Si.C11H19NO3.C5H9NO3.C4H8.C3H4O3.C3H6O2.C3H4.C2H7NO.CH3.2ClH.Mg/c1-10-11-14(2)12-13-15(16(19)18(6)20-7)21-22(8,9)17(3,4)5;1-9-10-13(2)11-12-15(14(3)17)18-19(7,8)16(4,5)6;1-5-6-9(2)7-8-10(13)11(14)12(3)15-4;1-6(8-2)5(7)4-3-9-4;1-3-4-2;4-3(5)2-1-6-2;4-1-3-2-5-3;1-3-2;1-3-4-2;;;;/h10,12,15H,1,11,13H2,2-9H3;9,11,15H,1,10,12H2,2-8H3;5,7,10,13H,1,6,8H2,2-4H3;4H,3H2,1-2H3;3H,1,4H2,2H3;2H,1H2,(H,4,5);3-4H,1-2H2;1H,2H3;3H,1-2H3;1H3;2*1H;/q;;;;;;;;;-1;;;+2/p-1/b14-12-;13-11-;9-7-;;;;;;;;;;/t2*15-;10-;4-;;2-;3-;;;;;;/m0000.01....../s1
InChIKeyLSPZWHHERPKMJD-LDPLLXLJSA-M
MW1385.10 g/mol
LogP8.20
Rot. Bonds27

About magnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride

magnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride (PubChem CID 157233240) has the molecular formula C65H124Cl2MgN4O17Si2 and a molecular weight of 1385.10 g/mol. Its IUPAC name is magnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride.

Molecular Properties

Compound Namemagnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride
PubChem CID157233240
Molecular FormulaC65H124Cl2MgN4O17Si2
Molecular Weight1385.10 g/mol
Exact Mass1382.77
IUPAC Namemagnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride
SMILESC#CC.C=CC/C(C)=C\C[C@H](O)C(=O)N(C)OC.C=CC/C(C)=C\C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N(C)OC.C=CC/C(C)=C\C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O.C=CCC.CNOC.CON(C)C(=O)[C@@H]1CO1.Cl.O=C(O)[C@@H]1CO1.OC[C@@H]1CO1.[CH3-].[Cl-].[Mg+2]
InChIInChI=1S/C17H33NO3Si.C16H30O2Si.C11H19NO3.C5H9NO3.C4H8.C3H4O3.C3H6O2.C3H4.C2H7NO.CH3.2ClH.Mg/c1-10-11-14(2)12-13-15(16(19)18(6)20-7)21-22(8,9)17(3,4)5;1-9-10-13(2)11-12-15(14(3)17)18-19(7,8)16(4,5)6;1-5-6-9(2)7-8-10(13)11(14)12(3)15-4;1-6(8-2)5(7)4-3-9-4;1-3-4-2;4-3(5)2-1-6-2;4-1-3-2-5-3;1-3-2;1-3-4-2;;;;/h10,12,15H,1,11,13H2,2-9H3;9,11,15H,1,10,12H2,2-8H3;5,7,10,13H,1,6,8H2,2-4H3;4H,3H2,1-2H3;3H,1,4H2,2H3;2H,1H2,(H,4,5);3-4H,1-2H2;1H,2H3;3H,1-2H3;1H3;2*1H;/q;;;;;;;;;-1;;;+2/p-1/b14-12-;13-11-;9-7-;;;;;;;;;;/t2*15-;10-;4-;;2-;3-;;;;;;/m0000.01....../s1
InChIKeyLSPZWHHERPKMJD-LDPLLXLJSA-M
XLogP8.20
TPSA260.76 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds27
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001385.10
LogP ≤ 58.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze magnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride?
The IUPAC name of magnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride (CID 157233240) is magnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride.
What is the SMILES notation for magnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride?
The canonical SMILES for magnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride is C#CC.C=CC/C(C)=C\C[C@H](O)C(=O)N(C)OC.C=CC/C(C)=C\C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N(C)OC.C=CC/C(C)=C\C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=O.C=CCC.CNOC.CON(C)C(=O)[C@@H]1CO1.Cl.O=C(O)[C@@H]1CO1.OC[C@@H]1CO1.[CH3-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride?
The InChIKey is LSPZWHHERPKMJD-LDPLLXLJSA-M. The full InChI is InChI=1S/C17H33NO3Si.C16H30O2Si.C11H19NO3.C5H9NO3.C4H8.C3H4O3.C3H6O2.C3H4.C2H7NO.CH3.2ClH.Mg/c1-10-11-14(2)12-13-15(16(19)18(6)20-7)21-22(8,9)17(3,4)5;1-9-10-13(2)11-12-15(14(3)17)18-19(7,8)16(4,5)6;1-5-6-9(2)7-8-10(13)11(14)12(3)15-4;1-6(8-2)5(7)4-3-9-4;1-3-4-2;4-3(5)2-1-6-2;4-1-3-2-5-3;1-3-2;1-3-4-2;;;;/h10,12,15H,1,11,13H2,2-9H3;9,11,15H,1,10,12H2,2-8H3;5,7,10,13H,1,6,8H2,2-4H3;4H,3H2,1-2H3;3H,1,4H2,2H3;2H,1H2,(H,4,5);3-4H,1-2H2;1H,2H3;3H,1-2H3;1H3;2*1H;/q;;;;;;;;;-1;;;+2/p-1/b14-12-;13-11-;9-7-;;;;;;;;;;/t2*15-;10-;4-;;2-;3-;;;;;;/m0000.01....../s1.
What are the key properties of magnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride?
magnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride has a molecular weight of 1385.10 g/mol, XLogP of 8.20, 27 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;but-1-ene;(2S,4Z)-2-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;(3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-5,8-dien-2-one;carbanide;(2S,4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide;N-methoxymethanamine;(2S)-N-methoxy-N-methyloxirane-2-carboxamide;(2S)-oxirane-2-carboxylic acid;[(2R)-oxiran-2-yl]methanol;prop-1-yne;chloride;hydrochloride is sourced from PubChem (CID 157233240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).