ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate

C17H34O3Si — CID 142492982

IUPACethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate
SMILESCCCCCC(/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-8-10-11-12-15(13-14-16(18)19-9-2)20-21(6,7)17(3,4)5/h13-15H,8-12H2,1-7H3/b14-13+
InChIKeyXXTUWDXBTBEQQG-BUHFOSPRSA-N
MW314.54 g/mol
LogP5.08
Rot. Bonds9

About ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate

ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate (PubChem CID 142492982) has the molecular formula C17H34O3Si and a molecular weight of 314.54 g/mol. Its IUPAC name is ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate
PubChem CID142492982
Molecular FormulaC17H34O3Si
Molecular Weight314.54 g/mol
Exact Mass314.23
IUPAC Nameethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate
SMILESCCCCCC(/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O3Si/c1-8-10-11-12-15(13-14-16(18)19-9-2)20-21(6,7)17(3,4)5/h13-15H,8-12H2,1-7H3/b14-13+
InChIKeyXXTUWDXBTBEQQG-BUHFOSPRSA-N
XLogP5.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.54
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (Z)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 16066828
methyl (E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 12192990
methyl (E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-enoate
CID 44397378
methyl (E)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 14656184
methyl (Z)-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]prop-2-enoate
CID 44397488
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
(1S,4R)-1-Acetoxy-4-(tert-butyldimethylsilanyloxy)-2-cyclohexene
CID 10978542
Methyl (2E)-7-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-heptenoate
CID 11208037
tert-butyl (2E,4E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-2,4-dienoate
CID 11824407
(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
ethyl (2E,4S,5S,6R,8E,10E)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyldodeca-2,8,10-trienoate
CID 71546755

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate?
The IUPAC name of ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate (CID 142492982) is ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate.
What is the SMILES notation for ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate?
The canonical SMILES for ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate is CCCCCC(/C=C/C(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate?
The InChIKey is XXTUWDXBTBEQQG-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H34O3Si/c1-8-10-11-12-15(13-14-16(18)19-9-2)20-21(6,7)17(3,4)5/h13-15H,8-12H2,1-7H3/b14-13+.
What are the key properties of ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate?
ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate has a molecular weight of 314.54 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate is sourced from PubChem (CID 142492982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).