ethyl (4E,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyltetradeca-4,6-dienoate

C23H44O3Si — CID 71600181

IUPACethyl (4E,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyltetradeca-4,6-dienoate
SMILESCCCCCCC/C=C\C=C(/C)C(CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O3Si/c1-9-11-12-13-14-15-16-17-18-20(3)21(19-22(24)25-10-2)26-27(7,8)23(4,5)6/h16-18,21H,9-15,19H2,1-8H3/b17-16-,20-18+
InChIKeyFFNARQXOOSVFLE-ZTVQAUPKSA-N
MW396.69 g/mol
LogP7.19
Rot. Bonds13

About ethyl (4E,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyltetradeca-4,6-dienoate

ethyl (4E,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyltetradeca-4,6-dienoate (PubChem CID 71600181) has the molecular formula C23H44O3Si and a molecular weight of 396.69 g/mol. Its IUPAC name is ethyl (4E,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyltetradeca-4,6-dienoate.

Molecular Properties

Compound Nameethyl (4E,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyltetradeca-4,6-dienoate
PubChem CID71600181
Molecular FormulaC23H44O3Si
Molecular Weight396.69 g/mol
Exact Mass396.31
IUPAC Nameethyl (4E,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyltetradeca-4,6-dienoate
SMILESCCCCCCC/C=C\C=C(/C)C(CC(=O)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O3Si/c1-9-11-12-13-14-15-16-17-18-20(3)21(19-22(24)25-10-2)26-27(7,8)23(4,5)6/h16-18,21H,9-15,19H2,1-8H3/b17-16-,20-18+
InChIKeyFFNARQXOOSVFLE-ZTVQAUPKSA-N
XLogP7.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.69
LogP ≤ 57.19
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (4E,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyltetradeca-4,6-dienoate?
The IUPAC name of ethyl (4E,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyltetradeca-4,6-dienoate (CID 71600181) is ethyl (4E,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyltetradeca-4,6-dienoate.
What is the SMILES notation for ethyl (4E,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyltetradeca-4,6-dienoate?
The canonical SMILES for ethyl (4E,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyltetradeca-4,6-dienoate is CCCCCCC/C=C\C=C(/C)C(CC(=O)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (4E,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyltetradeca-4,6-dienoate?
The InChIKey is FFNARQXOOSVFLE-ZTVQAUPKSA-N. The full InChI is InChI=1S/C23H44O3Si/c1-9-11-12-13-14-15-16-17-18-20(3)21(19-22(24)25-10-2)26-27(7,8)23(4,5)6/h16-18,21H,9-15,19H2,1-8H3/b17-16-,20-18+.
What are the key properties of ethyl (4E,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyltetradeca-4,6-dienoate?
ethyl (4E,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyltetradeca-4,6-dienoate has a molecular weight of 396.69 g/mol, XLogP of 7.19, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4E,6Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyltetradeca-4,6-dienoate is sourced from PubChem (CID 71600181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).