ethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate

C18H34O5Si — CID 10316378

IUPACethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate
SMILESC/C=C/[C@H](OCOC)[C@H](/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O5Si/c1-9-11-15(22-14-20-6)16(12-13-17(19)21-10-2)23-24(7,8)18(3,4)5/h9,11-13,15-16H,10,14H2,1-8H3/b11-9+,13-12+/t15-,16-/m0/s1
InChIKeyJGYXYYNANFKFML-QOMQLUSASA-N
MW358.55 g/mol
LogP4.06
Rot. Bonds10

About ethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate

ethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate (PubChem CID 10316378) has the molecular formula C18H34O5Si and a molecular weight of 358.55 g/mol. Its IUPAC name is ethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate.

Molecular Properties

Compound Nameethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate
PubChem CID10316378
Molecular FormulaC18H34O5Si
Molecular Weight358.55 g/mol
Exact Mass358.22
IUPAC Nameethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate
SMILESC/C=C/[C@H](OCOC)[C@H](/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O5Si/c1-9-11-15(22-14-20-6)16(12-13-17(19)21-10-2)23-24(7,8)18(3,4)5/h9,11-13,15-16H,10,14H2,1-8H3/b11-9+,13-12+/t15-,16-/m0/s1
InChIKeyJGYXYYNANFKFML-QOMQLUSASA-N
XLogP4.06
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.55
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate with MolForge

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Related Compounds

ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
CID 5468979
(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 10220446
diethyl (2E,4S,5S,6E)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienedioate
CID 10838660
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
(4R,5S,E)-5-((tert-Butyldimethylsilyl)oxy)-4-((2-methoxyethoxy)methoxy)hex-2-enoic acid
CID 11002564
ethyl (E)-3-[(4R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxo-1,3-dioxolan-4-yl]prop-2-enoate
CID 11416659
(E,4R)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal
CID 11484331
methyl (E,4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-5-triethylsilyloxypent-2-enoate
CID 11624652
ethyl (E)-3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11727653
ethyl (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enoate
CID 11825882

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate?
The IUPAC name of ethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate (CID 10316378) is ethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate.
What is the SMILES notation for ethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate?
The canonical SMILES for ethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate is C/C=C/[C@H](OCOC)[C@H](/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate?
The InChIKey is JGYXYYNANFKFML-QOMQLUSASA-N. The full InChI is InChI=1S/C18H34O5Si/c1-9-11-15(22-14-20-6)16(12-13-17(19)21-10-2)23-24(7,8)18(3,4)5/h9,11-13,15-16H,10,14H2,1-8H3/b11-9+,13-12+/t15-,16-/m0/s1.
What are the key properties of ethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate?
ethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate has a molecular weight of 358.55 g/mol, XLogP of 4.06, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)octa-2,6-dienoate is sourced from PubChem (CID 10316378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).