ethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate

C20H42O5Si2 — CID 10645731

IUPACethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate
SMILESCCOC(=O)/C=C/C[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C
InChIInChI=1S/C20H42O5Si2/c1-10-23-19(21)13-11-12-18(16-25-27(8,9)20(2,3)4)24-17-22-14-15-26(5,6)7/h11,13,18H,10,12,14-17H2,1-9H3/b13-11+/t18-/m0/s1
InChIKeyRPISZTGLAYPZQU-YLZCUGDYSA-N
MW418.72 g/mol
LogP5.22
Rot. Bonds13

About ethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate

ethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate (PubChem CID 10645731) has the molecular formula C20H42O5Si2 and a molecular weight of 418.72 g/mol. Its IUPAC name is ethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate.

Molecular Properties

Compound Nameethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate
PubChem CID10645731
Molecular FormulaC20H42O5Si2
Molecular Weight418.72 g/mol
Exact Mass418.26
IUPAC Nameethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate
SMILESCCOC(=O)/C=C/C[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C
InChIInChI=1S/C20H42O5Si2/c1-10-23-19(21)13-11-12-18(16-25-27(8,9)20(2,3)4)24-17-22-14-15-26(5,6)7/h11,13,18H,10,12,14-17H2,1-9H3/b13-11+/t18-/m0/s1
InChIKeyRPISZTGLAYPZQU-YLZCUGDYSA-N
XLogP5.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.72
LogP ≤ 55.22
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,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

(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
(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
[(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 11791894
ethyl (E,5R,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enoate
CID 11825882
[(2R,3R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] methyl carbonate
CID 12193236
[(2Z,4S,5S,6Z)-8-acetyloxy-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienyl] acetate
CID 14737941
tert-butyl (Z)-3-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]prop-2-enoate
CID 46193207

Frequently Asked Questions

What is the IUPAC name of ethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate?
The IUPAC name of ethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate (CID 10645731) is ethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate.
What is the SMILES notation for ethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate?
The canonical SMILES for ethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate is CCOC(=O)/C=C/C[C@@H](CO[Si](C)(C)C(C)(C)C)OCOCC[Si](C)(C)C.
What is the InChIKey of ethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate?
The InChIKey is RPISZTGLAYPZQU-YLZCUGDYSA-N. The full InChI is InChI=1S/C20H42O5Si2/c1-10-23-19(21)13-11-12-18(16-25-27(8,9)20(2,3)4)24-17-22-14-15-26(5,6)7/h11,13,18H,10,12,14-17H2,1-9H3/b13-11+/t18-/m0/s1.
What are the key properties of ethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate?
ethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate has a molecular weight of 418.72 g/mol, XLogP of 5.22, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate is sourced from PubChem (CID 10645731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).