1,4-diphenyl-5-trimethylsilylpentan-1-one

C20H26OSi — CID 102209299

IUPAC1,4-diphenyl-5-trimethylsilylpentan-1-one
SMILESC[Si](C)(C)CC(CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26OSi/c1-22(2,3)16-19(17-10-6-4-7-11-17)14-15-20(21)18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3
InChIKeyPWVKGDINPFFSFU-UHFFFAOYSA-N
MW310.51 g/mol
LogP5.77
Rot. Bonds7

About 1,4-diphenyl-5-trimethylsilylpentan-1-one

1,4-diphenyl-5-trimethylsilylpentan-1-one (PubChem CID 102209299) has the molecular formula C20H26OSi and a molecular weight of 310.51 g/mol. Its IUPAC name is 1,4-diphenyl-5-trimethylsilylpentan-1-one.

Molecular Properties

Compound Name1,4-diphenyl-5-trimethylsilylpentan-1-one
PubChem CID102209299
Molecular FormulaC20H26OSi
Molecular Weight310.51 g/mol
Exact Mass310.18
IUPAC Name1,4-diphenyl-5-trimethylsilylpentan-1-one
SMILESC[Si](C)(C)CC(CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26OSi/c1-22(2,3)16-19(17-10-6-4-7-11-17)14-15-20(21)18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3
InChIKeyPWVKGDINPFFSFU-UHFFFAOYSA-N
XLogP5.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.51
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-diphenylhept-6-en-1-one
CID 22894004
4-amino-1,4-diphenylbutan-1-one
CID 116570833
3-methyl-1-phenyl-4-trimethylsilylbutan-1-one
CID 101447394
2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808
4-chloro-1-phenylpentan-1-one
CID 14472970
trimethyl-(3-nitro-2-phenylpropyl)silane
CID 15526873
N-(4-oxo-1,4-diphenylbutyl)acetamide
CID 13252857
(3R)-1,3-diphenylpentan-1-one
CID 11042799
4-(1-benzofuran-2-yl)-1-phenyl-5-triphenylsilylpentan-1-one
CID 162410813
6-phenyloctan-3-one
CID 83936524
4-hydroxy-4-(4-methylphenyl)-1-phenylbutan-1-one
CID 132535803
2-hydroxy-1,5-diphenylpentane-1,5-dione
CID 14316875

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-5-trimethylsilylpentan-1-one?
The IUPAC name of 1,4-diphenyl-5-trimethylsilylpentan-1-one (CID 102209299) is 1,4-diphenyl-5-trimethylsilylpentan-1-one.
What is the SMILES notation for 1,4-diphenyl-5-trimethylsilylpentan-1-one?
The canonical SMILES for 1,4-diphenyl-5-trimethylsilylpentan-1-one is C[Si](C)(C)CC(CCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,4-diphenyl-5-trimethylsilylpentan-1-one?
The InChIKey is PWVKGDINPFFSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26OSi/c1-22(2,3)16-19(17-10-6-4-7-11-17)14-15-20(21)18-12-8-5-9-13-18/h4-13,19H,14-16H2,1-3H3.
What are the key properties of 1,4-diphenyl-5-trimethylsilylpentan-1-one?
1,4-diphenyl-5-trimethylsilylpentan-1-one has a molecular weight of 310.51 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-5-trimethylsilylpentan-1-one is sourced from PubChem (CID 102209299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).