(2E)-1-triphenylsilylpenta-2,4-dien-1-one

C23H20OSi — CID 14934037

IUPAC(2E)-1-triphenylsilylpenta-2,4-dien-1-one
SMILESC=C/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20OSi/c1-2-3-19-23(24)25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h2-19H,1H2/b19-3+
InChIKeyRWTLWRZOCWEQJM-QBROUFQSSA-N
MW340.50 g/mol
LogP3.01
Rot. Bonds6

About (2E)-1-triphenylsilylpenta-2,4-dien-1-one

(2E)-1-triphenylsilylpenta-2,4-dien-1-one (PubChem CID 14934037) has the molecular formula C23H20OSi and a molecular weight of 340.50 g/mol. Its IUPAC name is (2E)-1-triphenylsilylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E)-1-triphenylsilylpenta-2,4-dien-1-one
PubChem CID14934037
Molecular FormulaC23H20OSi
Molecular Weight340.50 g/mol
Exact Mass340.13
IUPAC Name(2E)-1-triphenylsilylpenta-2,4-dien-1-one
SMILESC=C/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20OSi/c1-2-3-19-23(24)25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h2-19H,1H2/b19-3+
InChIKeyRWTLWRZOCWEQJM-QBROUFQSSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-triphenylsilylpenta-2,4-dien-1-one?
The IUPAC name of (2E)-1-triphenylsilylpenta-2,4-dien-1-one (CID 14934037) is (2E)-1-triphenylsilylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E)-1-triphenylsilylpenta-2,4-dien-1-one?
The canonical SMILES for (2E)-1-triphenylsilylpenta-2,4-dien-1-one is C=C/C=C/C(=O)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-1-triphenylsilylpenta-2,4-dien-1-one?
The InChIKey is RWTLWRZOCWEQJM-QBROUFQSSA-N. The full InChI is InChI=1S/C23H20OSi/c1-2-3-19-23(24)25(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h2-19H,1H2/b19-3+.
What are the key properties of (2E)-1-triphenylsilylpenta-2,4-dien-1-one?
(2E)-1-triphenylsilylpenta-2,4-dien-1-one has a molecular weight of 340.50 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-triphenylsilylpenta-2,4-dien-1-one is sourced from PubChem (CID 14934037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).