(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one

C57H110O5Si4 — CID 11136844

IUPAC(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one
SMILESCCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C/CO[Si](C)(C)C(C)(C)C)/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C57H110O5Si4/c1-29-50(35-36-51(61-65(25,26)56(15,16)17)46(5)34-31-38-59-63(21,22)54(9,10)11)42-44(3)33-30-32-43(2)40-47(6)52(58)49(8)53(62-66(27,28)57(18,19)20)48(7)41-45(4)37-39-60-64(23,24)55(12,13)14/h30-32,34-37,40,42,44,46-49,51,53H,29,33,38-39,41H2,1-28H3/b32-30+,34-31-,36-35+,43-40+,45-37+,50-42-/t44-,46+,47-,48+,49-,51+,53-/m1/s1
InChIKeyJPXKHLIQBRYSRX-HTXFSSJWSA-N
MW987.85 g/mol
LogP18.24
Rot. Bonds26

About (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one

(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one (PubChem CID 11136844) has the molecular formula C57H110O5Si4 and a molecular weight of 987.85 g/mol. Its IUPAC name is (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one.

Molecular Properties

Compound Name(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one
PubChem CID11136844
Molecular FormulaC57H110O5Si4
Molecular Weight987.85 g/mol
Exact Mass986.74
IUPAC Name(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one
SMILESCCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C/CO[Si](C)(C)C(C)(C)C)/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C57H110O5Si4/c1-29-50(35-36-51(61-65(25,26)56(15,16)17)46(5)34-31-38-59-63(21,22)54(9,10)11)42-44(3)33-30-32-43(2)40-47(6)52(58)49(8)53(62-66(27,28)57(18,19)20)48(7)41-45(4)37-39-60-64(23,24)55(12,13)14/h30-32,34-37,40,42,44,46-49,51,53H,29,33,38-39,41H2,1-28H3/b32-30+,34-31-,36-35+,43-40+,45-37+,50-42-/t44-,46+,47-,48+,49-,51+,53-/m1/s1
InChIKeyJPXKHLIQBRYSRX-HTXFSSJWSA-N
XLogP18.24
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.85
LogP ≤ 518.24
H-Bond Donors ≤ 50
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': 'polyene', 'substructure': 'N/A'}

Analyze (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one with MolForge

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Related Compounds

(3S,4R,5S,7R,8Z,10E,13R,14Z)-9-bromo-3,5,7,13-tetramethyl-15-trimethylsilyl-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14-trien-6-one
CID 11422242
(3S,4R,5S,7R,8E,10E,13R,14Z)-15-iodo-3,5,7,9,13-pentamethyl-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14-trien-6-one
CID 11467680
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CID 134865994
(3Z,5S,6S,7R,9S,11Z,13S,14R,15S)-14,16-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-6-trimethylsilyloxyhexadeca-1,3,11-trien-8-one
CID 134950439
(8E,10E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxododeca-8,10-dienal
CID 134973762
(2S,3S,4S,6E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnona-6,8-dienal
CID 135013444
(6R,7S,15S)-6,12-bis[[tert-butyl(dimethyl)silyl]oxy]-1-cyclopentyl-14-hydroxy-5,7,9,11,13,15-hexamethylnonadeca-4,8,16,18-tetraen-2-one
CID 91230722
(2R,3R,4S,6S,9R,10S,11R,12S,13Z)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6,9,10,12-hexamethyl-11-trimethylsilyloxyhexadeca-13,15-dienal
CID 161304775
(4S,5S,7R,8E,11S,12E)-4-[tert-butyl(dimethyl)silyl]oxy-5,7,9,11-tetramethyl-3-methylidenetetradeca-8,12-dien-6-one
CID 10024335
trimethylsilyl (E,2R,6R,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-10-methylidene-7-oxododec-4-enoate
CID 10390540
(3S,4R,5S,7R,8E,10E,13R,14Z,16E,18R,20Z)-4,18,22-tris[[tert-butyl(dimethyl)silyl]oxy]-15-ethyl-3,5,7,9,13-pentamethyldocosa-8,10,14,16,20-pentaen-6-one
CID 10919885
(3S,4S,7S,9R,12E)-11-[tert-butyl(dimethyl)silyl]oxy-13-ethyl-3,7,9-trimethyl-4-triethylsilyloxypentadeca-12,14-dien-2-one
CID 10995240

Frequently Asked Questions

What is the IUPAC name of (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one?
The IUPAC name of (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one (CID 11136844) is (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one.
What is the SMILES notation for (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one?
The canonical SMILES for (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one is CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C/CO[Si](C)(C)C(C)(C)C)/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one?
The InChIKey is JPXKHLIQBRYSRX-HTXFSSJWSA-N. The full InChI is InChI=1S/C57H110O5Si4/c1-29-50(35-36-51(61-65(25,26)56(15,16)17)46(5)34-31-38-59-63(21,22)54(9,10)11)42-44(3)33-30-32-43(2)40-47(6)52(58)49(8)53(62-66(27,28)57(18,19)20)48(7)41-45(4)37-39-60-64(23,24)55(12,13)14/h30-32,34-37,40,42,44,46-49,51,53H,29,33,38-39,41H2,1-28H3/b32-30+,34-31-,36-35+,43-40+,45-37+,50-42-/t44-,46+,47-,48+,49-,51+,53-/m1/s1.
What are the key properties of (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one?
(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one has a molecular weight of 987.85 g/mol, XLogP of 18.24, 26 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E,20S,21S,22Z)-1,6,20,24-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-3,5,7,9,11,15,21-heptamethyltetracosa-2,10,12,16,18,22-hexaen-8-one is sourced from PubChem (CID 11136844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).