(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal

C16H30O2Si — CID 11748025

IUPAC(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal
SMILESC/C(C=O)=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-14(9-8-10-15(2)13-17)11-12-18-19(6,7)16(3,4)5/h10-11,13H,8-9,12H2,1-7H3/b14-11+,15-10+
InChIKeyYLILMYQXAHBMRL-QYFSLLALSA-N
MW282.50 g/mol
LogP4.88
Rot. Bonds7

About (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal

(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal (PubChem CID 11748025) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal.

Molecular Properties

Compound Name(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal
PubChem CID11748025
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal
SMILESC/C(C=O)=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-14(9-8-10-15(2)13-17)11-12-18-19(6,7)16(3,4)5/h10-11,13H,8-9,12H2,1-7H3/b14-11+,15-10+
InChIKeyYLILMYQXAHBMRL-QYFSLLALSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.88
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal?
The IUPAC name of (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal (CID 11748025) is (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal.
What is the SMILES notation for (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal?
The canonical SMILES for (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal is C/C(C=O)=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal?
The InChIKey is YLILMYQXAHBMRL-QYFSLLALSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-14(9-8-10-15(2)13-17)11-12-18-19(6,7)16(3,4)5/h10-11,13H,8-9,12H2,1-7H3/b14-11+,15-10+.
What are the key properties of (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal?
(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal has a molecular weight of 282.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal is sourced from PubChem (CID 11748025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).