[(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane

C43H83IO4Si2 — CID 11083415

IUPAC[(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane
SMILESC=C/C=C\[C@H](C)[C@H](OCOC)[C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)/C=C\I
InChIInChI=1S/C43H83IO4Si2/c1-21-22-23-36(15)42(46-28-45-20)40(19)43(48-50(32(8)9,33(10)11)34(12)13)39(18)27-35(14)26-38(17)41(37(16)24-25-44)47-49(29(2)3,30(4)5)31(6)7/h21-26,29-34,36-43H,1,27-28H2,2-20H3/b23-22-,25-24-,35-26-/t36-,37-,38-,39-,40+,41-,42-,43+/m0/s1
InChIKeyCTANEJLDOGAQBB-FHZGDRQSSA-N
MW847.21 g/mol
LogP14.30
Rot. Bonds25

About [(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane

[(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane (PubChem CID 11083415) has the molecular formula C43H83IO4Si2 and a molecular weight of 847.21 g/mol. Its IUPAC name is [(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane
PubChem CID11083415
Molecular FormulaC43H83IO4Si2
Molecular Weight847.21 g/mol
Exact Mass846.49
IUPAC Name[(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane
SMILESC=C/C=C\[C@H](C)[C@H](OCOC)[C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)/C=C\I
InChIInChI=1S/C43H83IO4Si2/c1-21-22-23-36(15)42(46-28-45-20)40(19)43(48-50(32(8)9,33(10)11)34(12)13)39(18)27-35(14)26-38(17)41(37(16)24-25-44)47-49(29(2)3,30(4)5)31(6)7/h21-26,29-34,36-43H,1,27-28H2,2-20H3/b23-22-,25-24-,35-26-/t36-,37-,38-,39-,40+,41-,42-,43+/m0/s1
InChIKeyCTANEJLDOGAQBB-FHZGDRQSSA-N
XLogP14.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.21
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane with MolForge

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Related Compounds

tert-butyl-[(1Z,3S,4R,5S,6Z,9S,10R,11R,12S,13S,14Z)-1-iodo-12-(methoxymethoxy)-3,5,7,9,11,13-hexamethyl-10-tri(propan-2-yl)silyloxyheptadeca-1,6,14,16-tetraen-4-yl]oxy-dimethylsilane
CID 134932612
(3Z,5S,6S,7R,8R,9S,11Z,13S,14R,15S,16Z)-17-iodo-5,7,9,11,13,15-hexamethyl-8,14-bis[tri(propan-2-yl)silyloxy]heptadeca-1,3,11,16-tetraen-6-ol
CID 10996407
[(Z,1R,2S,6S,7R,8R,9S,10S)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxyundec-3-enoxy]-tri(propan-2-yl)silane
CID 11105007
(3Z,5S,7S,9S,11Z,13S)-6,8,14-trimethoxy-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-triene
CID 59958292
(2S,3R,4S,8S,9R,10R,11S,12S)-9-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol
CID 90829144
(5Z,13Z)-3,9,11-trimethoxy-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol
CID 59958302
[(2S,3R,4R,5Z,8S,9R,10S,11R,12S,13Z)-9-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-11-(4-methoxyphenoxy)-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-triphenylphosphanium iodide
CID 11787978
[(3Z,5S,6S,7R,8R,9S,11Z,13S,14S,15S,16Z)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-oxononadeca-1,3,11,16-tetraen-6-yl] carbamate
CID 11388328
(2S,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trien-1-ol
CID 11018005
[(5S,6S,7R,8R,9S,13S,14S,15S)-8,14-bis[[tert-butyl(dimethyl)silyl]oxy]-5,7,9,11,13,15-hexamethyl-18-phenoxyoctadeca-1,3,11,16-tetraen-6-yl] carbamate
CID 91611529
(2S,3R,4S,5S,6S,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6-trimethyldeca-7,9-dien-1-ol
CID 11474668
[(1S,2S,3R,4S,8S,9R,10S)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S)-hexa-3,5-dien-2-yl]-2,4,6,8,10-pentamethyl-11-triethylsilyloxyundec-6-enoxy]-triethylsilane
CID 57352140

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane (CID 11083415) is [(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane is C=C/C=C\[C@H](C)[C@H](OCOC)[C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)/C=C\I.
What is the InChIKey of [(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane?
The InChIKey is CTANEJLDOGAQBB-FHZGDRQSSA-N. The full InChI is InChI=1S/C43H83IO4Si2/c1-21-22-23-36(15)42(46-28-45-20)40(19)43(48-50(32(8)9,33(10)11)34(12)13)39(18)27-35(14)26-38(17)41(37(16)24-25-44)47-49(29(2)3,30(4)5)31(6)7/h21-26,29-34,36-43H,1,27-28H2,2-20H3/b23-22-,25-24-,35-26-/t36-,37-,38-,39-,40+,41-,42-,43+/m0/s1.
What are the key properties of [(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane?
[(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane has a molecular weight of 847.21 g/mol, XLogP of 14.30, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3Z,6S,7R,8R,9S,10S,11Z)-1-[(Z,2S)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-7-tri(propan-2-yl)silyloxytetradeca-3,11,13-trienoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11083415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).