(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal

C17H32O2Si — CID 11572961

IUPAC(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal
SMILESC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)C=O
InChIInChI=1S/C17H32O2Si/c1-10-14(3)16(15(4)11-13(2)12-18)19-20(8,9)17(5,6)7/h10-12,15-16H,1-9H3/b13-11+,14-10+/t15-,16+/m1/s1
InChIKeyQMOQEJIRXYUQEQ-BXTMBTEBSA-N
MW296.53 g/mol
LogP5.12
Rot. Bonds6

About (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal

(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal (PubChem CID 11572961) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal.

Molecular Properties

Compound Name(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal
PubChem CID11572961
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal
SMILESC/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)C=O
InChIInChI=1S/C17H32O2Si/c1-10-14(3)16(15(4)11-13(2)12-18)19-20(8,9)17(5,6)7/h10-12,15-16H,1-9H3/b13-11+,14-10+/t15-,16+/m1/s1
InChIKeyQMOQEJIRXYUQEQ-BXTMBTEBSA-N
XLogP5.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.12
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,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal?
The IUPAC name of (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal (CID 11572961) is (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal.
What is the SMILES notation for (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal?
The canonical SMILES for (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal is C/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)C=O.
What is the InChIKey of (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal?
The InChIKey is QMOQEJIRXYUQEQ-BXTMBTEBSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-10-14(3)16(15(4)11-13(2)12-18)19-20(8,9)17(5,6)7/h10-12,15-16H,1-9H3/b13-11+,14-10+/t15-,16+/m1/s1.
What are the key properties of (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal?
(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal has a molecular weight of 296.53 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal is sourced from PubChem (CID 11572961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).