(2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal

C25H32O2Si — CID 53492897

IUPAC(2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal
SMILESCC[C@@H](/C=C/C=C/C=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O2Si/c1-5-22(15-9-8-14-20-26)21-27-28(25(2,3)4,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h6-20,22H,5,21H2,1-4H3/b14-8+,15-9+/t22-/m0/s1
InChIKeyLFDVBHVVMDJAHA-COUNKINGSA-N
MW392.62 g/mol
LogP4.90
Rot. Bonds9

About (2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal

(2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal (PubChem CID 53492897) has the molecular formula C25H32O2Si and a molecular weight of 392.62 g/mol. Its IUPAC name is (2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal.

Molecular Properties

Compound Name(2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal
PubChem CID53492897
Molecular FormulaC25H32O2Si
Molecular Weight392.62 g/mol
Exact Mass392.22
IUPAC Name(2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal
SMILESCC[C@@H](/C=C/C=C/C=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O2Si/c1-5-22(15-9-8-14-20-26)21-27-28(25(2,3)4,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h6-20,22H,5,21H2,1-4H3/b14-8+,15-9+/t22-/m0/s1
InChIKeyLFDVBHVVMDJAHA-COUNKINGSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.62
LogP ≤ 54.90
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'}

Analyze (2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal with MolForge

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Related Compounds

(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691
(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal
CID 10860332
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phenylmethoxypropanal
CID 11201317
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-chlorophenyl)propanal
CID 156904158
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
(Z,4S,7R)-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(4-methoxyphenyl)methoxy]non-5-en-2-one
CID 71726038
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(E,4S)-4-[(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]pent-2-enal
CID 11634036

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal?
The IUPAC name of (2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal (CID 53492897) is (2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal.
What is the SMILES notation for (2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal?
The canonical SMILES for (2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal is CC[C@@H](/C=C/C=C/C=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal?
The InChIKey is LFDVBHVVMDJAHA-COUNKINGSA-N. The full InChI is InChI=1S/C25H32O2Si/c1-5-22(15-9-8-14-20-26)21-27-28(25(2,3)4,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h6-20,22H,5,21H2,1-4H3/b14-8+,15-9+/t22-/m0/s1.
What are the key properties of (2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal?
(2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal has a molecular weight of 392.62 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]octa-2,4-dienal is sourced from PubChem (CID 53492897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).