(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide

C140H241N3O12Si2 — CID 161478867

IUPAC(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide
SMILESCCCCCCCCCCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N[C@@H]1COC(C)(C)O[C@H]1/C=C/CC/C=C(\C)CCCCCCCCC.CCCCCCCCCCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N[C@H](CO)[C@@H](O)/C=C/CC/C=C(\C)CCCCCCCCC.CCCCCCCCCCCCCC[C@H](O)C(=O)N[C@H](CO)[C@@H](O)/C=C/CC/C=C(\C)CCCCCCCCC
InChIInChI=1S/C54H89NO4Si.C51H85NO4Si.C35H67NO4/c1-9-11-13-15-17-18-19-20-21-23-25-35-44-51(59-60(53(4,5)6,47-39-31-27-32-40-47)48-41-33-28-34-42-48)52(56)55-49-45-57-54(7,8)58-50(49)43-36-26-30-38-46(3)37-29-24-22-16-14-12-10-2;1-7-9-11-13-15-16-17-18-19-21-23-34-42-49(56-57(51(4,5)6,45-37-29-25-30-38-45)46-39-31-26-32-40-46)50(55)52-47(43-53)48(54)41-33-24-28-36-44(3)35-27-22-20-14-12-10-8-2;1-4-6-8-10-12-13-14-15-16-18-20-24-29-34(39)35(40)36-32(30-37)33(38)28-25-21-23-27-31(3)26-22-19-17-11-9-7-5-2/h27-28,31-34,36,38-43,49-51H,9-26,29-30,35,37,44-45H2,1-8H3,(H,55,56);25-26,29-33,36-41,47-49,53-54H,7-24,27-28,34-35,42-43H2,1-6H3,(H,52,55);25,27-28,32-34,37-39H,4-24,26,29-30H2,1-3H3,(H,36,40)/b43-36+,46-38+;41-33+,44-36+;28-25+,31-27+/t49-,50+,51-;47-,48+,49-;32-,33+,34+/m111/s1
InChIKeyWEBVSVYYGKIILA-JXLSVOOISA-N
MW2214.65 g/mol
LogP35.07
Rot. Bonds93

About (2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide

(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide (PubChem CID 161478867) has the molecular formula C140H241N3O12Si2 and a molecular weight of 2214.65 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide
PubChem CID161478867
Molecular FormulaC140H241N3O12Si2
Molecular Weight2214.65 g/mol
Exact Mass2212.79
IUPAC Name(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide
SMILESCCCCCCCCCCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N[C@@H]1COC(C)(C)O[C@H]1/C=C/CC/C=C(\C)CCCCCCCCC.CCCCCCCCCCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N[C@H](CO)[C@@H](O)/C=C/CC/C=C(\C)CCCCCCCCC.CCCCCCCCCCCCCC[C@H](O)C(=O)N[C@H](CO)[C@@H](O)/C=C/CC/C=C(\C)CCCCCCCCC
InChIInChI=1S/C54H89NO4Si.C51H85NO4Si.C35H67NO4/c1-9-11-13-15-17-18-19-20-21-23-25-35-44-51(59-60(53(4,5)6,47-39-31-27-32-40-47)48-41-33-28-34-42-48)52(56)55-49-45-57-54(7,8)58-50(49)43-36-26-30-38-46(3)37-29-24-22-16-14-12-10-2;1-7-9-11-13-15-16-17-18-19-21-23-34-42-49(56-57(51(4,5)6,45-37-29-25-30-38-45)46-39-31-26-32-40-46)50(55)52-47(43-53)48(54)41-33-24-28-36-44(3)35-27-22-20-14-12-10-8-2;1-4-6-8-10-12-13-14-15-16-18-20-24-29-34(39)35(40)36-32(30-37)33(38)28-25-21-23-27-31(3)26-22-19-17-11-9-7-5-2/h27-28,31-34,36,38-43,49-51H,9-26,29-30,35,37,44-45H2,1-8H3,(H,55,56);25-26,29-33,36-41,47-49,53-54H,7-24,27-28,34-35,42-43H2,1-6H3,(H,52,55);25,27-28,32-34,37-39H,4-24,26,29-30H2,1-3H3,(H,36,40)/b43-36+,46-38+;41-33+,44-36+;28-25+,31-27+/t49-,50+,51-;47-,48+,49-;32-,33+,34+/m111/s1
InChIKeyWEBVSVYYGKIILA-JXLSVOOISA-N
XLogP35.07
TPSA225.37 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds93
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002214.65
LogP ≤ 535.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze (2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide with MolForge

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Related Compounds

(2S)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide
CID 12043091
(2S)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide
CID 12043092
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide
CID 60066184
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide
CID 60066191
(2S)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide
CID 91102969
(2S)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-(6-methylpentadeca-1,5-dienyl)-1,3-dioxan-5-yl]hexadecanamide
CID 91248120
(E,2S,3S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxyoctadec-4-en-1-ol;N-[(E,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyoctadec-4-en-2-yl]hexadecanamide;(E,2S,3S)-2-(hexadecylamino)octadec-4-ene-1,3-diol
CID 160457817
(E,2S,3S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxyoctadec-4-en-1-ol;N-[(E,2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyoctadec-4-en-2-yl]hexadecanamide;4-[(E,2S,3S)-2-(hexadecylamino)-3-hydroxyoctadec-4-enoxy]-4-oxobutanoic acid;(E,2S,3S)-2-(hexadecylamino)octadec-4-ene-1,3-diol
CID 160623565
2-[tert-butyl(diphenyl)silyl]oxy-N-[(4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide
CID 20747857

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide?
The IUPAC name of (2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide (CID 161478867) is (2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide.
What is the SMILES notation for (2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide?
The canonical SMILES for (2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide is CCCCCCCCCCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N[C@@H]1COC(C)(C)O[C@H]1/C=C/CC/C=C(\C)CCCCCCCCC.CCCCCCCCCCCCCC[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N[C@H](CO)[C@@H](O)/C=C/CC/C=C(\C)CCCCCCCCC.CCCCCCCCCCCCCC[C@H](O)C(=O)N[C@H](CO)[C@@H](O)/C=C/CC/C=C(\C)CCCCCCCCC.
What is the InChIKey of (2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide?
The InChIKey is WEBVSVYYGKIILA-JXLSVOOISA-N. The full InChI is InChI=1S/C54H89NO4Si.C51H85NO4Si.C35H67NO4/c1-9-11-13-15-17-18-19-20-21-23-25-35-44-51(59-60(53(4,5)6,47-39-31-27-32-40-47)48-41-33-28-34-42-48)52(56)55-49-45-57-54(7,8)58-50(49)43-36-26-30-38-46(3)37-29-24-22-16-14-12-10-2;1-7-9-11-13-15-16-17-18-19-21-23-34-42-49(56-57(51(4,5)6,45-37-29-25-30-38-45)46-39-31-26-32-40-46)50(55)52-47(43-53)48(54)41-33-24-28-36-44(3)35-27-22-20-14-12-10-8-2;1-4-6-8-10-12-13-14-15-16-18-20-24-29-34(39)35(40)36-32(30-37)33(38)28-25-21-23-27-31(3)26-22-19-17-11-9-7-5-2/h27-28,31-34,36,38-43,49-51H,9-26,29-30,35,37,44-45H2,1-8H3,(H,55,56);25-26,29-33,36-41,47-49,53-54H,7-24,27-28,34-35,42-43H2,1-6H3,(H,52,55);25,27-28,32-34,37-39H,4-24,26,29-30H2,1-3H3,(H,36,40)/b43-36+,46-38+;41-33+,44-36+;28-25+,31-27+/t49-,50+,51-;47-,48+,49-;32-,33+,34+/m111/s1.
What are the key properties of (2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide?
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide has a molecular weight of 2214.65 g/mol, XLogP of 35.07, 93 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-N-[(4S,5R)-2,2-dimethyl-4-[(1E,5E)-6-methylpentadeca-1,5-dienyl]-1,3-dioxan-5-yl]hexadecanamide;(2S)-N-[(2R,3S,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]-2-hydroxyhexadecanamide is sourced from PubChem (CID 161478867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).