ethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate

C16H30O3Si — CID 138984142

IUPACethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate
SMILESC=CCCC/C(=C\C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-8-10-11-12-14(13-15(17)18-9-2)19-20(6,7)16(3,4)5/h8,13H,1,9-12H2,2-7H3/b14-13+
InChIKeyMESHXTOPYWRMNM-BUHFOSPRSA-N
MW298.50 g/mol
LogP4.81
Rot. Bonds8

About ethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate

ethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate (PubChem CID 138984142) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is ethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate.

Molecular Properties

Compound Nameethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate
PubChem CID138984142
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Nameethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate
SMILESC=CCCC/C(=C\C(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-8-10-11-12-14(13-15(17)18-9-2)19-20(6,7)16(3,4)5/h8,13H,1,9-12H2,2-7H3/b14-13+
InChIKeyMESHXTOPYWRMNM-BUHFOSPRSA-N
XLogP4.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
methyl (2Z,6E)-3-[tert-butyl(dimethyl)silyl]oxy-10-cyclopropylidene-7-methyldeca-2,6-dienoate
CID 135046761
ethyl (E,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 10084653
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
(1r,4s)-4-{[Tert-butyl(dimethyl)silyl]oxy}-2-cyclopenten-1-yl acetate
CID 10956197
(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
[(E)-7-[tert-butyl(dimethyl)silyl]oxy-7-methyloct-5-enyl] acetate
CID 58918255
ethyl (E,4R)-4-tri(propan-2-yl)silyloxyhex-2-enoate
CID 5468979
ethyl (E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 10901315

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate?
The IUPAC name of ethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate (CID 138984142) is ethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate.
What is the SMILES notation for ethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate?
The canonical SMILES for ethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate is C=CCCC/C(=C\C(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate?
The InChIKey is MESHXTOPYWRMNM-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-8-10-11-12-14(13-15(17)18-9-2)19-20(6,7)16(3,4)5/h8,13H,1,9-12H2,2-7H3/b14-13+.
What are the key properties of ethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate?
ethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate has a molecular weight of 298.50 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-3-[tert-butyl(dimethyl)silyl]oxyocta-2,7-dienoate is sourced from PubChem (CID 138984142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).