methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate

C28H37NO5Si — CID 122217414

IUPACmethyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate
SMILESCC/C(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C(/C(=O)OC)N1CCOC1=O
InChIInChI=1S/C28H37NO5Si/c1-6-22(25(26(30)32-5)29-19-21-33-27(29)31)14-13-20-34-35(28(2,3)4,23-15-9-7-10-16-23)24-17-11-8-12-18-24/h7-12,15-18H,6,13-14,19-21H2,1-5H3/b25-22+
InChIKeyFQJUNSLKZZRSTR-YYDJUVGSSA-N
MW495.69 g/mol
LogP4.63
Rot. Bonds10

About methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate

methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate (PubChem CID 122217414) has the molecular formula C28H37NO5Si and a molecular weight of 495.69 g/mol. Its IUPAC name is methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate.

Molecular Properties

Compound Namemethyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate
PubChem CID122217414
Molecular FormulaC28H37NO5Si
Molecular Weight495.69 g/mol
Exact Mass495.24
IUPAC Namemethyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate
SMILESCC/C(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C(/C(=O)OC)N1CCOC1=O
InChIInChI=1S/C28H37NO5Si/c1-6-22(25(26(30)32-5)29-19-21-33-27(29)31)14-13-20-34-35(28(2,3)4,23-15-9-7-10-16-23)24-17-11-8-12-18-24/h7-12,15-18H,6,13-14,19-21H2,1-5H3/b25-22+
InChIKeyFQJUNSLKZZRSTR-YYDJUVGSSA-N
XLogP4.63
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.69
LogP ≤ 54.63
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhex-2-enoate
CID 99772672
methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate
CID 10319406
(4aS,7R)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,4,4a,5,6,7-hexahydropyrrolo[1,2-c][1,3]oxazin-1-one
CID 73293002
3-[4-(bromomethyl)phenyl]propoxy-tert-butyl-diphenylsilane;3-(4-bromophenyl)propanoic acid
CID 162181674
3-[6-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one
CID 135023889
5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
CID 10665724
(2E)-2-benzylidene-5-[tert-butyl(diphenyl)silyl]oxypentanal
CID 71605137
cis-methyl (1S,2R)-2-[5-[tert-butyl(diphenyl)silyl]oxypent-1-en-2-yl]-5-oxocyclopentane-1-carboxylate
CID 11123461
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-diphenyl-(4-phenylpent-4-enoxy)silane
CID 71605136
5-[tert-butyl(diphenyl)silyl]oxypentyl 2-methylprop-2-enoate
CID 172860642
tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane
CID 140893830

Frequently Asked Questions

What is the IUPAC name of methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate?
The IUPAC name of methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate (CID 122217414) is methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate.
What is the SMILES notation for methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate?
The canonical SMILES for methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate is CC/C(CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C(/C(=O)OC)N1CCOC1=O.
What is the InChIKey of methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate?
The InChIKey is FQJUNSLKZZRSTR-YYDJUVGSSA-N. The full InChI is InChI=1S/C28H37NO5Si/c1-6-22(25(26(30)32-5)29-19-21-33-27(29)31)14-13-20-34-35(28(2,3)4,23-15-9-7-10-16-23)24-17-11-8-12-18-24/h7-12,15-18H,6,13-14,19-21H2,1-5H3/b25-22+.
What are the key properties of methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate?
methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate has a molecular weight of 495.69 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate is sourced from PubChem (CID 122217414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).