tri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate

C59H114O7Si4 — CID 11240169

IUPACtri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate
SMILESC=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](CC[C@H](C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C\C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/C=C\C(=O)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C59H114O7Si4/c1-29-30-33-47(10)55(62)50(13)52(63-67(23,24)57(14,15)16)39-36-45(8)40-49(12)56(66-69(27,28)59(20,21)22)48(11)37-38-51(60)41-53(64-68(25,26)58(17,18)19)46(9)34-31-32-35-54(61)65-70(42(2)3,43(4)5)44(6)7/h29-35,37-38,42-50,52-53,55-56,62H,1,36,39-41H2,2-28H3/b33-30-,34-31+,35-32-,38-37-/t45-,46+,47-,48-,49-,50-,52+,53-,55-,56-/m0/s1
InChIKeyXBJHWSITVUHFIX-WVDXOKERSA-N
MW1047.90 g/mol
LogP17.59
Rot. Bonds30

About tri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate

tri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate (PubChem CID 11240169) has the molecular formula C59H114O7Si4 and a molecular weight of 1047.90 g/mol. Its IUPAC name is tri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate.

Molecular Properties

Compound Nametri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate
PubChem CID11240169
Molecular FormulaC59H114O7Si4
Molecular Weight1047.90 g/mol
Exact Mass1046.76
IUPAC Nametri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate
SMILESC=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](CC[C@H](C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C\C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/C=C\C(=O)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C59H114O7Si4/c1-29-30-33-47(10)55(62)50(13)52(63-67(23,24)57(14,15)16)39-36-45(8)40-49(12)56(66-69(27,28)59(20,21)22)48(11)37-38-51(60)41-53(64-68(25,26)58(17,18)19)46(9)34-31-32-35-54(61)65-70(42(2)3,43(4)5)44(6)7/h29-35,37-38,42-50,52-53,55-56,62H,1,36,39-41H2,2-28H3/b33-30-,34-31+,35-32-,38-37-/t45-,46+,47-,48-,49-,50-,52+,53-,55-,56-/m0/s1
InChIKeyXBJHWSITVUHFIX-WVDXOKERSA-N
XLogP17.59
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds30
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.90
LogP ≤ 517.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze tri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate with MolForge

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Related Compounds

(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[(1,1-dimethylethyl) dimethylsilyl]oxy]-11-hydroxy-2,4,6,8,10,12-hexamethyl-5,13,15-hexadecatrienal
CID 86760454
(2R,3S,4S,6E,8R,9S,10R,11E,13R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-13-hydroxy-2,4,8,10,12-pentamethyl-5-oxopentadeca-6,11-dienoic acid
CID 15602515
(2E,4R,6E,8E,10S,11R,12S)-11-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10,12-hexamethyl-5-oxodocosa-2,6,8-trienoic acid
CID 16062488
(3Z,5E,7R,8S,10S,11Z,13S,14S,15S,16Z,19S,20R,21R,22S)-14,20-bis[[tert-butyl(dimethyl)silyl]oxy]-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-8-hydroxy-10-methoxy-7,13,15,17,19,21-hexamethyl-1-oxacyclodocosa-3,5,11,16-tetraen-2-one
CID 44606633
(3Z,5E,7R,8S,10S,11Z,13S,14S,15S,16Z,19S,20R,21R,22S)-14,20-bis[[tert-butyl(dimethyl)silyl]oxy]-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-10-hydroxy-8-methoxy-7,13,15,17,19,21-hexamethyl-1-oxacyclodocosa-3,5,11,16-tetraen-2-one
CID 44606800
(3Z,5E,7R,8S,10S,11Z,13S,14R,15S,17S,20R,21R,22S)-8-[tert-butyl(dimethyl)silyl]oxy-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-10-hydroxy-7,13,15,17,21-pentamethyl-14,20-bis(triethylsilyloxy)-1-oxacyclodocosa-3,5,11-trien-2-one
CID 46872790
(3Z,5E,7R,8S,10S,11Z,13S,14S,15S,16Z,19S,20R,21R,22S)-14,20-bis[[tert-butyl(dimethyl)silyl]oxy]-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-8,10-dihydroxy-7,13,15,17,19,21-hexamethyl-1-oxacyclodocosa-3,5,11,16-tetraen-2-one
CID 102167390
(2E,4E,6S,7S,8R,9S,10R)-9,11-bis((tert-butyldimethylsilyl)oxy)-7-hydroxy-6,8,10-trimethylundeca-2,4-dienoic acid
CID 102325347
(3Z,5E,7R,8S,10S,11Z,13S,14R,15S,20R,21R,22S)-8-[tert-butyl(dimethyl)silyl]oxy-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-10-hydroxy-7,13,15,21-tetramethyl-14,20-bis(triethylsilyloxy)-1-oxacyclodocosa-3,5,11-trien-2-one
CID 134845729
(2E,4R,6S,7S,8E,10S,11R,12S)-1,11-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-2,4,6,8,10,12-hexamethyldocosa-2,8-dien-5-one
CID 134940134
methyl (2E,4E,6R,7S,8S,10E,12E,14S,15S,16S)-7-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-2,4,6,8,10,14,16-heptamethyl-15-trimethylsilyloxyheptadeca-2,4,10,12-tetraenoate
CID 138969500
(3Z,5E,7R,8S,10S,11Z,13S,14S,15S,16Z,19S,20R,21R,22S)-14,20-bis[[tert-butyl(dimethyl)silyl]oxy]-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-8-hydroxy-7,13,15,17,19,21-hexamethyl-10-triethylsilyloxy-1-oxacyclodocosa-3,5,11,16-tetraen-2-one
CID 139252523

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate?
The IUPAC name of tri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate (CID 11240169) is tri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate.
What is the SMILES notation for tri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate?
The canonical SMILES for tri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate is C=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](CC[C@H](C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C\C(=O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/C=C\C(=O)O[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate?
The InChIKey is XBJHWSITVUHFIX-WVDXOKERSA-N. The full InChI is InChI=1S/C59H114O7Si4/c1-29-30-33-47(10)55(62)50(13)52(63-67(23,24)57(14,15)16)39-36-45(8)40-49(12)56(66-69(27,28)59(20,21)22)48(11)37-38-51(60)41-53(64-68(25,26)58(17,18)19)46(9)34-31-32-35-54(61)65-70(42(2)3,43(4)5)44(6)7/h29-35,37-38,42-50,52-53,55-56,62H,1,36,39-41H2,2-28H3/b33-30-,34-31+,35-32-,38-37-/t45-,46+,47-,48-,49-,50-,52+,53-,55-,56-/m0/s1.
What are the key properties of tri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate?
tri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate has a molecular weight of 1047.90 g/mol, XLogP of 17.59, 30 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)silyl (2Z,4E,6R,7S,10Z,12S,13R,14S,16S,19R,20R,21S,22S,23Z)-7,13,19-tris[[tert-butyl(dimethyl)silyl]oxy]-21-hydroxy-6,12,14,16,20,22-hexamethyl-9-oxohexacosa-2,4,10,23,25-pentaenoate is sourced from PubChem (CID 11240169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).