triethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane

C47H93IO6Si3 — CID 25185092

IUPACtriethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane
SMILESC/C=C(\C)C[C@H](C)[C@H](O[Si](CC)(CC)CC)[C@@H](C)[C@H]1O[C@@]2(C[C@@H](OC)[C@H]1C)O[C@H]([C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)/C=C\I)[C@@H](C)C[C@@H]2O[Si](CC)(CC)CC
InChIInChI=1S/C47H93IO6Si3/c1-19-34(11)31-36(13)45(54-57(26-8,27-9)28-10)40(17)46-38(15)41(49-18)33-47(51-46)42(52-55(20-2,21-3)22-4)32-37(14)43(50-47)39(16)44(35(12)29-30-48)53-56(23-5,24-6)25-7/h19,29-30,35-46H,20-28,31-33H2,1-18H3/b30-29-,34-19+/t35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47+/m0/s1
InChIKeyGFYYORYZHLZTOS-WNPDVXFFSA-N
MW965.42 g/mol
LogP14.57
Rot. Bonds25

About triethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane

triethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane (PubChem CID 25185092) has the molecular formula C47H93IO6Si3 and a molecular weight of 965.42 g/mol. Its IUPAC name is triethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane
PubChem CID25185092
Molecular FormulaC47H93IO6Si3
Molecular Weight965.42 g/mol
Exact Mass964.53
IUPAC Nametriethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane
SMILESC/C=C(\C)C[C@H](C)[C@H](O[Si](CC)(CC)CC)[C@@H](C)[C@H]1O[C@@]2(C[C@@H](OC)[C@H]1C)O[C@H]([C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)/C=C\I)[C@@H](C)C[C@@H]2O[Si](CC)(CC)CC
InChIInChI=1S/C47H93IO6Si3/c1-19-34(11)31-36(13)45(54-57(26-8,27-9)28-10)40(17)46-38(15)41(49-18)33-47(51-46)42(52-55(20-2,21-3)22-4)32-37(14)43(50-47)39(16)44(35(12)29-30-48)53-56(23-5,24-6)25-7/h19,29-30,35-46H,20-28,31-33H2,1-18H3/b30-29-,34-19+/t35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47+/m0/s1
InChIKeyGFYYORYZHLZTOS-WNPDVXFFSA-N
XLogP14.57
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.42
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze triethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1-[(1R,2S)-1-[(2S,3R)-2,3-dimethyl-4-tri(propan-2-yl)silyloxybutyl]-2-[(4S,5S,6R)-6-[(2S)-1-iodopropan-2-yl]-2,2-dimethyl-5-trimethylsilyloxy-1,3-dioxan-4-yl]-4-(methoxymethoxymethyl)cyclohex-3-en-1-yl]but-3-enoxy]-trimethylsilane
CID 11468705
tert-butyl-[[(2R,3S,6S,8R,9S)-8-[(2E,4E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-2,4,8-trienyl]-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 24749653
triethyl-[[(4R,6R,8R,10S,13R)-4-(iodomethyl)-13-methyl-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane
CID 134878040
tert-butyl-[[(2R,3S)-8-[(2E,4E,6S,7S)-6-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylnona-2,4,8-trienyl]-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 134940747
[(7S,8S,8aR)-8-[2-[(4R,6S)-2,2-dimethyl-6-(2-triethylsilyloxyethyl)-1,3-dioxan-4-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]oxy-triethylsilane
CID 134982986
(2S,3S,4R)-4-[(2S,6R,8S)-2-[(E,2S,3S,4S)-4,6-dimethyl-3-triethylsilyloxyoct-6-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methyl-3-triethylsilyloxypentan-1-ol
CID 138977253
tert-butyl-[(Z,2S,3R,4S,8S,9R,10R)-9-[tert-butyl(dimethyl)silyl]oxy-10-[(2S,4S,5S)-2,5-dimethyl-1,3-dioxan-4-yl]-3-(methoxymethoxy)-2,4,6,8-tetramethylundec-5-enoxy]-dimethylsilane
CID 59678393
(4S,5R)-4-[(E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methoxynon-7-enyl]-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-methylpropyl]-3,5-dimethyloxan-2-yl]-1,3-dioxolan-2-one
CID 60090933
(E,1R,2S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-hydroxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-10-iodo-4-methoxyundec-9-ene-1,2-diol
CID 60090947
(4S,5R)-4-[(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-2-methoxynon-7-enyl]-5-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-6-[(2R)-3-methoxy-2-methylpropyl]-3,5-dimethyloxan-2-yl]-1,3-dioxolan-2-one
CID 90723115
(1R,2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-hydroxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-10-iodo-4-methoxyundec-9-ene-1,2-diol
CID 91203678
(E,1R,2S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-[(2R)-2-hydroxy-3-methoxypropyl]-2-methoxy-3,5-dimethyloxan-2-yl]-10-iodo-4-methoxyundec-9-ene-1,2-diol
CID 140473274

Frequently Asked Questions

What is the IUPAC name of triethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane?
The IUPAC name of triethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane (CID 25185092) is triethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane.
What is the SMILES notation for triethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane?
The canonical SMILES for triethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane is C/C=C(\C)C[C@H](C)[C@H](O[Si](CC)(CC)CC)[C@@H](C)[C@H]1O[C@@]2(C[C@@H](OC)[C@H]1C)O[C@H]([C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)/C=C\I)[C@@H](C)C[C@@H]2O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane?
The InChIKey is GFYYORYZHLZTOS-WNPDVXFFSA-N. The full InChI is InChI=1S/C47H93IO6Si3/c1-19-34(11)31-36(13)45(54-57(26-8,27-9)28-10)40(17)46-38(15)41(49-18)33-47(51-46)42(52-55(20-2,21-3)22-4)32-37(14)43(50-47)39(16)44(35(12)29-30-48)53-56(23-5,24-6)25-7/h19,29-30,35-46H,20-28,31-33H2,1-18H3/b30-29-,34-19+/t35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47+/m0/s1.
What are the key properties of triethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane?
triethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane has a molecular weight of 965.42 g/mol, XLogP of 14.57, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E,2S,3S,4S)-2-[(2S,3R,4R,6R,8S,9S,11S)-8-[(Z,2R,3S,4S)-6-iodo-4-methyl-3-triethylsilyloxyhex-5-en-2-yl]-4-methoxy-3,9-dimethyl-11-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethyloct-6-en-3-yl]oxysilane is sourced from PubChem (CID 25185092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).