(E)-1,5-diphenyl-1-triethylsilyloxypent-4-en-2-one

C23H30O2Si — CID 102483189

IUPAC(E)-1,5-diphenyl-1-triethylsilyloxypent-4-en-2-one
SMILESCC[Si](CC)(CC)OC(C(=O)C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O2Si/c1-4-26(5-2,6-3)25-23(21-17-11-8-12-18-21)22(24)19-13-16-20-14-9-7-10-15-20/h7-18,23H,4-6,19H2,1-3H3/b16-13+
InChIKeyQAAQCPXLPYMZFE-DTQAZKPQSA-N
MW366.58 g/mol
LogP6.42
Rot. Bonds10

About (E)-1,5-diphenyl-1-triethylsilyloxypent-4-en-2-one

(E)-1,5-diphenyl-1-triethylsilyloxypent-4-en-2-one (PubChem CID 102483189) has the molecular formula C23H30O2Si and a molecular weight of 366.58 g/mol. Its IUPAC name is (E)-1,5-diphenyl-1-triethylsilyloxypent-4-en-2-one.

Molecular Properties

Compound Name(E)-1,5-diphenyl-1-triethylsilyloxypent-4-en-2-one
PubChem CID102483189
Molecular FormulaC23H30O2Si
Molecular Weight366.58 g/mol
Exact Mass366.20
IUPAC Name(E)-1,5-diphenyl-1-triethylsilyloxypent-4-en-2-one
SMILESCC[Si](CC)(CC)OC(C(=O)C/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O2Si/c1-4-26(5-2,6-3)25-23(21-17-11-8-12-18-21)22(24)19-13-16-20-14-9-7-10-15-20/h7-18,23H,4-6,19H2,1-3H3/b16-13+
InChIKeyQAAQCPXLPYMZFE-DTQAZKPQSA-N
XLogP6.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.58
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,5-diphenyl-1-triethylsilyloxypent-4-en-2-one?
The IUPAC name of (E)-1,5-diphenyl-1-triethylsilyloxypent-4-en-2-one (CID 102483189) is (E)-1,5-diphenyl-1-triethylsilyloxypent-4-en-2-one.
What is the SMILES notation for (E)-1,5-diphenyl-1-triethylsilyloxypent-4-en-2-one?
The canonical SMILES for (E)-1,5-diphenyl-1-triethylsilyloxypent-4-en-2-one is CC[Si](CC)(CC)OC(C(=O)C/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,5-diphenyl-1-triethylsilyloxypent-4-en-2-one?
The InChIKey is QAAQCPXLPYMZFE-DTQAZKPQSA-N. The full InChI is InChI=1S/C23H30O2Si/c1-4-26(5-2,6-3)25-23(21-17-11-8-12-18-21)22(24)19-13-16-20-14-9-7-10-15-20/h7-18,23H,4-6,19H2,1-3H3/b16-13+.
What are the key properties of (E)-1,5-diphenyl-1-triethylsilyloxypent-4-en-2-one?
(E)-1,5-diphenyl-1-triethylsilyloxypent-4-en-2-one has a molecular weight of 366.58 g/mol, XLogP of 6.42, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,5-diphenyl-1-triethylsilyloxypent-4-en-2-one is sourced from PubChem (CID 102483189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).