butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid

C24H33O4PSi — CID 173322636

IUPACbutan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid
SMILESCCC(C)OP(=O)(O)C=CC=CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33O4PSi/c1-6-21(2)28-29(25,26)20-14-13-19-27-30(24(3,4)5,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-21H,6H2,1-5H3,(H,25,26)
InChIKeyCDFJMBXLTXPAHI-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.59
Rot. Bonds9

About butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid

butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid (PubChem CID 173322636) has the molecular formula C24H33O4PSi and a molecular weight of 444.58 g/mol. Its IUPAC name is butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid.

Molecular Properties

Compound Namebutan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid
PubChem CID173322636
Molecular FormulaC24H33O4PSi
Molecular Weight444.58 g/mol
Exact Mass444.19
IUPAC Namebutan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid
SMILESCCC(C)OP(=O)(O)C=CC=CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33O4PSi/c1-6-21(2)28-29(25,26)20-14-13-19-27-30(24(3,4)5,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-21H,6H2,1-5H3,(H,25,26)
InChIKeyCDFJMBXLTXPAHI-UHFFFAOYSA-N
XLogP5.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic 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

[(1E,3E)-4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphonic acid
CID 23194391
tert-butyl-[(E)-2-fluoroethenoxy]-diphenylsilane
CID 101364803
bis[tert-butyl(diphenyl)silyl] 2-hydroxybutanedioate
CID 139812746
4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate
CID 66656955
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
methyl (E)-5-[tert-butyl(diphenyl)silyl]oxypent-4-enoate
CID 15527217
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
[amino(phenyl)methyl]-butan-2-yloxyphosphinic acid
CID 87221118

Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid?
The IUPAC name of butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid (CID 173322636) is butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid.
What is the SMILES notation for butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid?
The canonical SMILES for butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid is CCC(C)OP(=O)(O)C=CC=CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid?
The InChIKey is CDFJMBXLTXPAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33O4PSi/c1-6-21(2)28-29(25,26)20-14-13-19-27-30(24(3,4)5,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-21H,6H2,1-5H3,(H,25,26).
What are the key properties of butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid?
butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid has a molecular weight of 444.58 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-[4-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]phosphinic acid is sourced from PubChem (CID 173322636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).