tert-butyl 4-oxo-5-phenylpentanoate

C15H20O3 — CID 119056831

IUPACtert-butyl 4-oxo-5-phenylpentanoate
SMILESCC(C)(C)OC(=O)CCC(=O)Cc1ccccc1
InChIInChI=1S/C15H20O3/c1-15(2,3)18-14(17)10-9-13(16)11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyGSNPCIQEMIVIJG-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.92
Rot. Bonds5

About tert-butyl 4-oxo-5-phenylpentanoate

tert-butyl 4-oxo-5-phenylpentanoate (PubChem CID 119056831) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is tert-butyl 4-oxo-5-phenylpentanoate.

Molecular Properties

Compound Nametert-butyl 4-oxo-5-phenylpentanoate
PubChem CID119056831
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nametert-butyl 4-oxo-5-phenylpentanoate
SMILESCC(C)(C)OC(=O)CCC(=O)Cc1ccccc1
InChIInChI=1S/C15H20O3/c1-15(2,3)18-14(17)10-9-13(16)11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyGSNPCIQEMIVIJG-UHFFFAOYSA-N
XLogP2.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-oxo-5-phenylpentanoate 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

tert-butyl 4-oxo-5-pyridin-3-ylpentanoate
CID 58498103
tert-butyl 5-naphthalen-2-yl-4-oxopentanoate
CID 58498117
tert-butyl 5-(3-isocyanophenyl)-4-oxopentanoate
CID 58498102
tert-butyl 5-naphthalen-1-yl-4-oxopentanoate
CID 159291703
tert-butyl 4-oxo-4-phenylbutanoate
CID 11746573
1-phenylhexane-2,5-dione
CID 10035428
tert-butyl 3-(benzylamino)propanoate
CID 10776134
tert-butyl 4-oxo-4-(2-phenylethylamino)butanoate
CID 106706933
ditert-butyl (2E)-2-(2-phenylethylidene)pentanedioate
CID 10936923
5-amino-5-methyl-1-phenylhexan-2-one
CID 116571213
tert-butyl (5S)-5-(dibenzylamino)-4-oxohexanoate
CID 10927048
tert-butyl 4-oxo-4-(1-phenylpropan-2-ylamino)butanoate
CID 106707409

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxo-5-phenylpentanoate?
The IUPAC name of tert-butyl 4-oxo-5-phenylpentanoate (CID 119056831) is tert-butyl 4-oxo-5-phenylpentanoate.
What is the SMILES notation for tert-butyl 4-oxo-5-phenylpentanoate?
The canonical SMILES for tert-butyl 4-oxo-5-phenylpentanoate is CC(C)(C)OC(=O)CCC(=O)Cc1ccccc1.
What is the InChIKey of tert-butyl 4-oxo-5-phenylpentanoate?
The InChIKey is GSNPCIQEMIVIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-15(2,3)18-14(17)10-9-13(16)11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3.
What are the key properties of tert-butyl 4-oxo-5-phenylpentanoate?
tert-butyl 4-oxo-5-phenylpentanoate has a molecular weight of 248.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxo-5-phenylpentanoate is sourced from PubChem (CID 119056831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).