ethyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate

C18H36O6Si — CID 11164773

IUPACethyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](OCOCCOC)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O6Si/c1-9-22-17(19)11-10-16(23-14-21-13-12-20-6)15(2)24-25(7,8)18(3,4)5/h10-11,15-16H,9,12-14H2,1-8H3/b11-10+/t15-,16+/m0/s1
InChIKeyHAFFGSUWWVAQRO-ZBYDSPNZSA-N
MW376.57 g/mol
LogP3.52
Rot. Bonds12

About ethyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate

ethyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate (PubChem CID 11164773) has the molecular formula C18H36O6Si and a molecular weight of 376.57 g/mol. Its IUPAC name is ethyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate
PubChem CID11164773
Molecular FormulaC18H36O6Si
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC Nameethyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](OCOCCOC)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O6Si/c1-9-22-17(19)11-10-16(23-14-21-13-12-20-6)15(2)24-25(7,8)18(3,4)5/h10-11,15-16H,9,12-14H2,1-8H3/b11-10+/t15-,16+/m0/s1
InChIKeyHAFFGSUWWVAQRO-ZBYDSPNZSA-N
XLogP3.52
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate 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 (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate?
The IUPAC name of ethyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate (CID 11164773) is ethyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate.
What is the SMILES notation for ethyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate?
The canonical SMILES for ethyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate is CCOC(=O)/C=C/[C@@H](OCOCCOC)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate?
The InChIKey is HAFFGSUWWVAQRO-ZBYDSPNZSA-N. The full InChI is InChI=1S/C18H36O6Si/c1-9-22-17(19)11-10-16(23-14-21-13-12-20-6)15(2)24-25(7,8)18(3,4)5/h10-11,15-16H,9,12-14H2,1-8H3/b11-10+/t15-,16+/m0/s1.
What are the key properties of ethyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate?
ethyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate has a molecular weight of 376.57 g/mol, XLogP of 3.52, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hex-2-enoate is sourced from PubChem (CID 11164773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).