ethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate

C21H42O5Si — CID 11463793

IUPACethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)CCOCOC
InChIInChI=1S/C21H42O5Si/c1-9-25-21(22)19(7)15-18(6)20(17(5)13-14-24-16-23-8)26-27(10-2,11-3)12-4/h15,17-18,20H,9-14,16H2,1-8H3/b19-15+/t17-,18+,20-/m0/s1
InChIKeyRNRGUENGGJBINZ-FRRGBFTHSA-N
MW402.65 g/mol
LogP5.17
Rot. Bonds15

About ethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate

ethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate (PubChem CID 11463793) has the molecular formula C21H42O5Si and a molecular weight of 402.65 g/mol. Its IUPAC name is ethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate
PubChem CID11463793
Molecular FormulaC21H42O5Si
Molecular Weight402.65 g/mol
Exact Mass402.28
IUPAC Nameethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate
SMILESCCOC(=O)/C(C)=C/[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)CCOCOC
InChIInChI=1S/C21H42O5Si/c1-9-25-21(22)19(7)15-18(6)20(17(5)13-14-24-16-23-8)26-27(10-2,11-3)12-4/h15,17-18,20H,9-14,16H2,1-8H3/b19-15+/t17-,18+,20-/m0/s1
InChIKeyRNRGUENGGJBINZ-FRRGBFTHSA-N
XLogP5.17
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.65
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate with MolForge

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Related Compounds

ethyl (2E,4S,6S,7S,8Z,10E,12E)-9-bromo-14-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-2,4,6,12-tetramethyltetradeca-2,8,10,12-tetraenoate
CID 10650774
ethyl (E,5S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218226
ethyl (E,5S,7R)-7-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoyl]oxy-5-(methoxymethoxy)oct-2-enoate
CID 46218228
[(1E,4R,5R,6E)-8-[tert-butyl(dimethyl)silyl]oxy-1-iodo-2,5,7-trimethylocta-1,6-dien-4-yl] (2E,7R)-7-(methoxymethoxy)nona-2,8-dienoate
CID 101852295
[(1E,4R,5R,6E)-8-[tert-butyl(dimethyl)silyl]oxy-1-iodo-2,5,7-trimethylocta-1,6-dien-4-yl] (2E,7S)-7-(methoxymethoxy)nona-2,8-dienoate
CID 134941097
ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-enoate
CID 139252222
ethyl (4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-enoate
CID 57788286
ethyl (E,4S,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylhept-2-enoate
CID 72190932
5(s),7(s),8-Tris-(tert-butyl-dimethyl-silanyloxy)-4(r)-methyl-oct-2-enoic acid ethyl ester
CID 87286989
ethyl (4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)oct-2-enoate
CID 123555180
ethyl (4R,7R,E)-7-((tert-butyldimethylsilyl)oxy)-4-(methoxymethoxy)oct-2-enoate
CID 123856196
ethyl (2E,6S,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethyldeca-2,8-dienoate
CID 140765672

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate?
The IUPAC name of ethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate (CID 11463793) is ethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate.
What is the SMILES notation for ethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate?
The canonical SMILES for ethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate is CCOC(=O)/C(C)=C/[C@@H](C)[C@@H](O[Si](CC)(CC)CC)[C@@H](C)CCOCOC.
What is the InChIKey of ethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate?
The InChIKey is RNRGUENGGJBINZ-FRRGBFTHSA-N. The full InChI is InChI=1S/C21H42O5Si/c1-9-25-21(22)19(7)15-18(6)20(17(5)13-14-24-16-23-8)26-27(10-2,11-3)12-4/h15,17-18,20H,9-14,16H2,1-8H3/b19-15+/t17-,18+,20-/m0/s1.
What are the key properties of ethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate?
ethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate has a molecular weight of 402.65 g/mol, XLogP of 5.17, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate is sourced from PubChem (CID 11463793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).