(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienal

C12H22O2Si — CID 14965789

IUPAC(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienal
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C=C/C=O
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h6-10H,11H2,1-5H3/b8-6+,9-7+
InChIKeyZTUPHLKYZXPDSX-CDJQDVQCSA-N
MW226.39 g/mol
LogP3.32
Rot. Bonds5

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

(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienal (PubChem CID 14965789) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienal
PubChem CID14965789
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Name(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienal
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C=C/C=O
InChIInChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h6-10H,11H2,1-5H3/b8-6+,9-7+
InChIKeyZTUPHLKYZXPDSX-CDJQDVQCSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienal?
The IUPAC name of (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienal (CID 14965789) is (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienal.
What is the SMILES notation for (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienal?
The canonical SMILES for (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienal is CC(C)(C)[Si](C)(C)OC/C=C/C=C/C=O.
What is the InChIKey of (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienal?
The InChIKey is ZTUPHLKYZXPDSX-CDJQDVQCSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-12(2,3)15(4,5)14-11-9-7-6-8-10-13/h6-10H,11H2,1-5H3/b8-6+,9-7+.
What are the key properties of (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienal?
(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienal has a molecular weight of 226.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienal is sourced from PubChem (CID 14965789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).