[(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

C52H100O7Si4 — CID 90215226

IUPAC[(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C52H100O7Si4/c1-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-46(54)55-43-45(57-61(16,17)50(5,6)7)48(59-63(20,21)52(11,12)13)47(58-62(18,19)51(8,9)10)44(42-53)56-60(14,15)49(2,3)4/h23-24,26-27,29-30,32-33,35-36,38-39,44-45,47-48,53H,22,25,28,31,34,37,40-43H2,1-21H3/b24-23-,27-26-,30-29-,33-32-,36-35-,39-38-/t44-,45-,47-,48-/m1/s1
InChIKeySTZZMKVMOLSELI-GRGNFPHXSA-N
MW949.71 g/mol
LogP15.56
Rot. Bonds28

About [(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

[(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (PubChem CID 90215226) has the molecular formula C52H100O7Si4 and a molecular weight of 949.71 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
PubChem CID90215226
Molecular FormulaC52H100O7Si4
Molecular Weight949.71 g/mol
Exact Mass948.65
IUPAC Name[(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C52H100O7Si4/c1-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-46(54)55-43-45(57-61(16,17)50(5,6)7)48(59-63(20,21)52(11,12)13)47(58-62(18,19)51(8,9)10)44(42-53)56-60(14,15)49(2,3)4/h23-24,26-27,29-30,32-33,35-36,38-39,44-45,47-48,53H,22,25,28,31,34,37,40-43H2,1-21H3/b24-23-,27-26-,30-29-,33-32-,36-35-,39-38-/t44-,45-,47-,48-/m1/s1
InChIKeySTZZMKVMOLSELI-GRGNFPHXSA-N
XLogP15.56
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds28
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.71
LogP ≤ 515.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate?
The IUPAC name of [(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (CID 90215226) is [(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate.
What is the SMILES notation for [(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate?
The canonical SMILES for [(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate?
The InChIKey is STZZMKVMOLSELI-GRGNFPHXSA-N. The full InChI is InChI=1S/C52H100O7Si4/c1-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-46(54)55-43-45(57-61(16,17)50(5,6)7)48(59-63(20,21)52(11,12)13)47(58-62(18,19)51(8,9)10)44(42-53)56-60(14,15)49(2,3)4/h23-24,26-27,29-30,32-33,35-36,38-39,44-45,47-48,53H,22,25,28,31,34,37,40-43H2,1-21H3/b24-23-,27-26-,30-29-,33-32-,36-35-,39-38-/t44-,45-,47-,48-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate?
[(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate has a molecular weight of 949.71 g/mol, XLogP of 15.56, 28 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-2,3,4,5-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyhexyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate is sourced from PubChem (CID 90215226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).