methyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate

C13H24O3Si — CID 23260186

IUPACmethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
SMILESCOC(=O)/C=C/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-13(2,3)17(5,6)16-11-9-7-8-10-12(14)15-4/h7-10H,11H2,1-6H3/b9-7-,10-8+
InChIKeyPBRAGFHWLZUFOI-FKJILZIQSA-N
MW256.42 g/mol
LogP3.29
Rot. Bonds5

About methyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate

methyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate (PubChem CID 23260186) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is methyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
PubChem CID23260186
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Namemethyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate
SMILESCOC(=O)/C=C/C=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O3Si/c1-13(2,3)17(5,6)16-11-9-7-8-10-12(14)15-4/h7-10H,11H2,1-6H3/b9-7-,10-8+
InChIKeyPBRAGFHWLZUFOI-FKJILZIQSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 53.29
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 methyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate?
The IUPAC name of methyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate (CID 23260186) is methyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate.
What is the SMILES notation for methyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate?
The canonical SMILES for methyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate is COC(=O)/C=C/C=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate?
The InChIKey is PBRAGFHWLZUFOI-FKJILZIQSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-13(2,3)17(5,6)16-11-9-7-8-10-12(14)15-4/h7-10H,11H2,1-6H3/b9-7-,10-8+.
What are the key properties of methyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate?
methyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate has a molecular weight of 256.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4Z)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoate is sourced from PubChem (CID 23260186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).