trimethyl-[(3S,4R,5S,6R,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-yl]oxysilane

C50H100O4Si4 — CID 10963997

IUPACtrimethyl-[(3S,4R,5S,6R,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-yl]oxysilane
SMILESCCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC)/C=C/[C@@H](C/C=C\CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C50H100O4Si4/c1-26-41(5)46(54-58(24,25)50(14,15)16)43(7)47(53-55(17,18)19)42(6)37-39(3)31-30-32-40(4)38-44(27-2)34-35-45(52-57(22,23)49(11,12)13)33-28-29-36-51-56(20,21)48(8,9)10/h28-31,34-35,37-38,40-43,45-47H,26-27,32-33,36H2,1-25H3/b29-28-,31-30+,35-34+,39-37+,44-38-/t40-,41+,42-,43+,45-,46-,47-/m1/s1
InChIKeyPONYWJGKSLADSV-KDZCQSHXSA-N
MW877.69 g/mol
LogP16.69
Rot. Bonds24

About trimethyl-[(3S,4R,5S,6R,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-yl]oxysilane

trimethyl-[(3S,4R,5S,6R,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-yl]oxysilane (PubChem CID 10963997) has the molecular formula C50H100O4Si4 and a molecular weight of 877.69 g/mol. Its IUPAC name is trimethyl-[(3S,4R,5S,6R,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-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(3S,4R,5S,6R,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-yl]oxysilane
PubChem CID10963997
Molecular FormulaC50H100O4Si4
Molecular Weight877.69 g/mol
Exact Mass876.67
IUPAC Nametrimethyl-[(3S,4R,5S,6R,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-yl]oxysilane
SMILESCCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC)/C=C/[C@@H](C/C=C\CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C50H100O4Si4/c1-26-41(5)46(54-58(24,25)50(14,15)16)43(7)47(53-55(17,18)19)42(6)37-39(3)31-30-32-40(4)38-44(27-2)34-35-45(52-57(22,23)49(11,12)13)33-28-29-36-51-56(20,21)48(8,9)10/h28-31,34-35,37-38,40-43,45-47H,26-27,32-33,36H2,1-25H3/b29-28-,31-30+,35-34+,39-37+,44-38-/t40-,41+,42-,43+,45-,46-,47-/m1/s1
InChIKeyPONYWJGKSLADSV-KDZCQSHXSA-N
XLogP16.69
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.69
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 trimethyl-[(3S,4R,5S,6R,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-yl]oxysilane with MolForge

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Related Compounds

[(2E,12R,13S)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 11302087
triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane
CID 134940845
[(1R,2R,3E,5Z)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane
CID 134981763
[(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 134982478
[(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane
CID 134983131
[(1S,2S,3Z,5Z,7E,9R,10R,11S,12E,14E,16S)-9,17-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-1-enyl]-11-methoxy-2,4,6,10,12,16-hexamethylheptadeca-3,5,7,12,14-pentaenoxy]-tert-butyl-dimethylsilane
CID 135035938
tert-butyl-[(2S,3E,5E,7S,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methoxy-2,6,8-trimethyl-11-tributylstannylundeca-3,5,10-trienoxy]-dimethylsilane
CID 135036512
triethyl-[(1S,5S,6R,7R,9E,11R,13R,15E)-5,7,11,13-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-1-ethyl-16-iodo-6-methylhexadeca-9,15-dienoxy]silane
CID 138981356
(1E,3Z,5R,6R,7R)-6-hydroxy-4,5-dimethyl-7-phenylocta-1,3-dien-1-yl dimethylcarbamate
CID 145997834
trimethyl-[(1S,2R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(3R,4S)-2,6,6-trimethyl-3,4-bis(trimethylsilyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]-2-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane
CID 14631344
trimethyl-[(1S,2S)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(3S,4S)-2,6,6-trimethyl-3,4-bis(trimethylsilyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,11,13,15,17-octaen-9-ynyl]-2-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane
CID 14631345
trimethyl-[(1S,2R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(3R,4S)-2,6,6-trimethyl-3,4-bis(trimethylsilyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2-trimethylsilyloxycyclohex-3-en-1-yl]oxysilane
CID 14631347

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3S,4R,5S,6R,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-yl]oxysilane?
The IUPAC name of trimethyl-[(3S,4R,5S,6R,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-yl]oxysilane (CID 10963997) is trimethyl-[(3S,4R,5S,6R,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-yl]oxysilane.
What is the SMILES notation for trimethyl-[(3S,4R,5S,6R,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-yl]oxysilane?
The canonical SMILES for trimethyl-[(3S,4R,5S,6R,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-yl]oxysilane is CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC)/C=C/[C@@H](C/C=C\CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of trimethyl-[(3S,4R,5S,6R,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-yl]oxysilane?
The InChIKey is PONYWJGKSLADSV-KDZCQSHXSA-N. The full InChI is InChI=1S/C50H100O4Si4/c1-26-41(5)46(54-58(24,25)50(14,15)16)43(7)47(53-55(17,18)19)42(6)37-39(3)31-30-32-40(4)38-44(27-2)34-35-45(52-57(22,23)49(11,12)13)33-28-29-36-51-56(20,21)48(8,9)10/h28-31,34-35,37-38,40-43,45-47H,26-27,32-33,36H2,1-25H3/b29-28-,31-30+,35-34+,39-37+,44-38-/t40-,41+,42-,43+,45-,46-,47-/m1/s1.
What are the key properties of trimethyl-[(3S,4R,5S,6R,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-yl]oxysilane?
trimethyl-[(3S,4R,5S,6R,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-yl]oxysilane has a molecular weight of 877.69 g/mol, XLogP of 16.69, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3S,4R,5S,6R,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-yl]oxysilane is sourced from PubChem (CID 10963997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).