ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate

C16H30O3Si — CID 11289533

IUPACethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate
SMILESCCOC(=O)/C(C)=C/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-9-18-15(17)14(3)12-13(2)10-11-19-20(7,8)16(4,5)6/h10,12H,9,11H2,1-8H3/b13-10+,14-12+
InChIKeyUXAPXLDLLNKZOY-ADWQEOMMSA-N
MW298.50 g/mol
LogP4.46
Rot. Bonds6

About ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate

ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate (PubChem CID 11289533) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate.

Molecular Properties

Compound Nameethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate
PubChem CID11289533
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Nameethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate
SMILESCCOC(=O)/C(C)=C/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O3Si/c1-9-18-15(17)14(3)12-13(2)10-11-19-20(7,8)16(4,5)6/h10,12H,9,11H2,1-8H3/b13-10+,14-12+
InChIKeyUXAPXLDLLNKZOY-ADWQEOMMSA-N
XLogP4.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate?
The IUPAC name of ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate (CID 11289533) is ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate.
What is the SMILES notation for ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate?
The canonical SMILES for ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate is CCOC(=O)/C(C)=C/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate?
The InChIKey is UXAPXLDLLNKZOY-ADWQEOMMSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-9-18-15(17)14(3)12-13(2)10-11-19-20(7,8)16(4,5)6/h10,12H,9,11H2,1-8H3/b13-10+,14-12+.
What are the key properties of ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate?
ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate has a molecular weight of 298.50 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate is sourced from PubChem (CID 11289533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).