[(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid

C20H25O4PSi — CID 23194391

IUPAC[(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid
SMILESCC(C)(C)[Si](O/C=C/C=C/P(=O)(O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25O4PSi/c1-20(2,3)26(18-12-6-4-7-13-18,19-14-8-5-9-15-19)24-16-10-11-17-25(21,22)23/h4-17H,1-3H3,(H2,21,22,23)/b16-10+,17-11+
InChIKeyQGTGJYCRJKWCJU-OTYYAQKOSA-N
MW388.48 g/mol
LogP3.77
Rot. Bonds6

About [(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid

[(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid (PubChem CID 23194391) has the molecular formula C20H25O4PSi and a molecular weight of 388.48 g/mol. Its IUPAC name is [(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid.

Molecular Properties

Compound Name[(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid
PubChem CID23194391
Molecular FormulaC20H25O4PSi
Molecular Weight388.48 g/mol
Exact Mass388.13
IUPAC Name[(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid
SMILESCC(C)(C)[Si](O/C=C/C=C/P(=O)(O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25O4PSi/c1-20(2,3)26(18-12-6-4-7-13-18,19-14-8-5-9-15-19)24-16-10-11-17-25(21,22)23/h4-17H,1-3H3,(H2,21,22,23)/b16-10+,17-11+
InChIKeyQGTGJYCRJKWCJU-OTYYAQKOSA-N
XLogP3.77
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid
CID 173322636
tert-butyl-[(E)-2-fluoroethenoxy]-diphenylsilane
CID 101364803
methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate
CID 15527217
methyl (E)-7-[tert-butyl(diphenyl)silyl]oxyhept-6-enoate
CID 101065949
[4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate
CID 175564241
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
[(1E)-buta-1,3-dienoxy]-tert-butyl-hydroxy-phenylsilane
CID 102468198
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
(E)-4-[tert-butyl(diphenyl)silyl]oxybut-2-enal
CID 10860332
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
2-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid?
The IUPAC name of [(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid (CID 23194391) is [(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid.
What is the SMILES notation for [(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid?
The canonical SMILES for [(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid is CC(C)(C)[Si](O/C=C/C=C/P(=O)(O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid?
The InChIKey is QGTGJYCRJKWCJU-OTYYAQKOSA-N. The full InChI is InChI=1S/C20H25O4PSi/c1-20(2,3)26(18-12-6-4-7-13-18,19-14-8-5-9-15-19)24-16-10-11-17-25(21,22)23/h4-17H,1-3H3,(H2,21,22,23)/b16-10+,17-11+.
What are the key properties of [(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid?
[(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid has a molecular weight of 388.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid is sourced from PubChem (CID 23194391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).