trimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate

C19H22O3Si — CID 91727584

IUPACtrimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate
SMILESC[Si](C)(C)OC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H22O3Si/c1-23(2,3)22-19(21)14-13-18(20)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3
InChIKeyDRKJEUWVXOOXIB-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.69
Rot. Bonds6

About trimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate

trimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate (PubChem CID 91727584) has the molecular formula C19H22O3Si and a molecular weight of 326.47 g/mol. Its IUPAC name is trimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate.

Molecular Properties

Compound Nametrimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate
PubChem CID91727584
Molecular FormulaC19H22O3Si
Molecular Weight326.47 g/mol
Exact Mass326.13
IUPAC Nametrimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate
SMILESC[Si](C)(C)OC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H22O3Si/c1-23(2,3)22-19(21)14-13-18(20)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3
InChIKeyDRKJEUWVXOOXIB-UHFFFAOYSA-N
XLogP4.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 527312
methyl 4-oxo-4-[4-(4-phenylphenyl)phenyl]butanoate
CID 10871655
N,N-dimethyl-4-oxo-4-(4-phenylphenyl)butanamide
CID 154274689
N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide
CID 71943599
2-fluorobutyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 121368180
1-O-methyl 4-O-[2-oxo-2-(4-phenylphenyl)ethyl] butanedioate
CID 19132591
ethyl 5-oxo-5-(4-phenylphenyl)pentanoate
CID 15728866
1-(4-phenylphenyl)-3-sulfanylpropan-1-one
CID 116830745
3-aminohexan-3-yl 4-oxo-4-(4-phenylphenyl)butanoate
CID 174824453
(2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971115
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 9061512
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971558

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate?
The IUPAC name of trimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate (CID 91727584) is trimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate.
What is the SMILES notation for trimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate?
The canonical SMILES for trimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate is C[Si](C)(C)OC(=O)CCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of trimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate?
The InChIKey is DRKJEUWVXOOXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3Si/c1-23(2,3)22-19(21)14-13-18(20)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3.
What are the key properties of trimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate?
trimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate has a molecular weight of 326.47 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-oxo-4-(4-phenylphenyl)butanoate is sourced from PubChem (CID 91727584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).