(2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid

C55H106O7Si4 — CID 16733143

IUPAC(2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid
SMILESC=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](CC/C=C\[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C\[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/C=C\C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C55H106O7Si4/c1-27-28-33-42(3)50(58)45(6)47(60-64(21,22)53(10,11)12)36-31-29-35-43(4)51(62-66(25,26)55(16,17)18)44(5)38-39-46(59-63(19,20)52(7,8)9)40-48(61-65(23,24)54(13,14)15)41(2)34-30-32-37-49(56)57/h27-30,32-35,37-39,41-48,50-51,58H,1,31,36,40H2,2-26H3,(H,56,57)/b33-28-,34-30+,35-29-,37-32-,39-38-/t41-,42+,43+,44+,45+,46-,47-,48+,50+,51-/m1/s1
InChIKeySKBGLUZNUPBGGG-ADQRYLTLSA-N
MW991.79 g/mol
LogP16.31
Rot. Bonds27

About (2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid

(2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid (PubChem CID 16733143) has the molecular formula C55H106O7Si4 and a molecular weight of 991.79 g/mol. Its IUPAC name is (2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid.

Molecular Properties

Compound Name(2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid
PubChem CID16733143
Molecular FormulaC55H106O7Si4
Molecular Weight991.79 g/mol
Exact Mass990.70
IUPAC Name(2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid
SMILESC=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](CC/C=C\[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C\[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/C=C\C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C55H106O7Si4/c1-27-28-33-42(3)50(58)45(6)47(60-64(21,22)53(10,11)12)36-31-29-35-43(4)51(62-66(25,26)55(16,17)18)44(5)38-39-46(59-63(19,20)52(7,8)9)40-48(61-65(23,24)54(13,14)15)41(2)34-30-32-37-49(56)57/h27-30,32-35,37-39,41-48,50-51,58H,1,31,36,40H2,2-26H3,(H,56,57)/b33-28-,34-30+,35-29-,37-32-,39-38-/t41-,42+,43+,44+,45+,46-,47-,48+,50+,51-/m1/s1
InChIKeySKBGLUZNUPBGGG-ADQRYLTLSA-N
XLogP16.31
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.79
LogP ≤ 516.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid with MolForge

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Related Compounds

methyl (2Z,4E,6R,7S,9S,10Z,12S,13R,14S,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,23,25-pentaenoate
CID 87737248
(2R,3R,4S,6S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-hydroxy-2,4,6,10,12-pentamethylhexadeca-13,15-dienal
CID 11387676
methyl (6R,7S,9S,12S,13R,14S,19R,20R,21S,22S)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-[(4-methoxyphenyl)methoxy]-6,12,14,20,22-pentamethylhexacosa-2,4,10,23,25-pentaenoate
CID 91306849
(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide
CID 58762158
ethyl (2E,4E,6R,7S,10E,12E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyltetradeca-2,4,10,12-tetraenoate
CID 10548569
(2S,3R,4R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-5-triethylsilyloxydeca-7,9-dien-1-ol
CID 57352136
(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4-dimethylpentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide
CID 58762113
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(2S,5S,6S,7S,11S,12R,13R,14S,15S)-2,6,12-tris[[tert-butyl(dimethyl)silyl]oxy]-14-hydroxy-5,7,9,11,13,15-hexamethylnonadeca-3,8,16,18-tetraenyl]oxan-2-one
CID 90982190
methyl (4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-[[(3R,4S,5R,6S,7S)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-3,5,7-trimethyl-2-oxoundeca-8,10-dienyl]amino]-4,6-dimethylhept-2-enoate
CID 173195031
ethyl (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-14,16-dimethyloctadeca-2,4,6,8,10,12-hexaenoate
CID 14081627
[(3Z,5S,6S,7R,8R,9S,11Z,13S,14S,15S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxononadeca-1,3,11,16-tetraen-6-yl] carbamate
CID 11388328
[(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate
CID 91611529

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid?
The IUPAC name of (2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid (CID 16733143) is (2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid.
What is the SMILES notation for (2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid?
The canonical SMILES for (2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid is C=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](CC/C=C\[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C\[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/C=C\C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid?
The InChIKey is SKBGLUZNUPBGGG-ADQRYLTLSA-N. The full InChI is InChI=1S/C55H106O7Si4/c1-27-28-33-42(3)50(58)45(6)47(60-64(21,22)53(10,11)12)36-31-29-35-43(4)51(62-66(25,26)55(16,17)18)44(5)38-39-46(59-63(19,20)52(7,8)9)40-48(61-65(23,24)54(13,14)15)41(2)34-30-32-37-49(56)57/h27-30,32-35,37-39,41-48,50-51,58H,1,31,36,40H2,2-26H3,(H,56,57)/b33-28-,34-30+,35-29-,37-32-,39-38-/t41-,42+,43+,44+,45+,46-,47-,48+,50+,51-/m1/s1.
What are the key properties of (2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid?
(2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid has a molecular weight of 991.79 g/mol, XLogP of 16.31, 27 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6R,7S,9S,10Z,12S,13R,14S,15Z,19R,20R,21S,22S,23Z)-7,9,13,19-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,20,22-pentamethylhexacosa-2,4,10,15,23,25-hexaenoic acid is sourced from PubChem (CID 16733143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).