methyl 2-oxo-5,5-diphenylpentanoate

C18H18O3 — CID 18371006

IUPACmethyl 2-oxo-5,5-diphenylpentanoate
SMILESCOC(=O)C(=O)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O3/c1-21-18(20)17(19)13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3
InChIKeyXVJBCEXOMDSJHJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.34
Rot. Bonds6

About methyl 2-oxo-5,5-diphenylpentanoate

methyl 2-oxo-5,5-diphenylpentanoate (PubChem CID 18371006) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-oxo-5,5-diphenylpentanoate.

Molecular Properties

Compound Namemethyl 2-oxo-5,5-diphenylpentanoate
PubChem CID18371006
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Namemethyl 2-oxo-5,5-diphenylpentanoate
SMILESCOC(=O)C(=O)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O3/c1-21-18(20)17(19)13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3
InChIKeyXVJBCEXOMDSJHJ-UHFFFAOYSA-N
XLogP3.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5,5-diphenylpentanoate
CID 10923549
N-methyl-4,4-diphenylbutanamide
CID 125470248
2-O-(benzhydrylamino) 1-O-methyl oxalate
CID 172828297
methyl 2-benzhydrylprop-2-enoate
CID 67016942
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
methyl (3S)-3-phenyl-2-sulfinylbutanoate
CID 134877287
methyl (E,4S)-5-methyl-4-phenyl-2-propylhex-2-enoate
CID 71109000
methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate
CID 3493714
methyl 4-hydroxy-2-methylidene-3-phenylbutanoate
CID 10632091
(3-methoxy-1-phenylpropyl)carbamic acid
CID 67224649
methyl 4-(2-bromophenyl)-2-oxobutanoate
CID 18370164
methyl 3-(2-iodophenyl)-2-oxopropanoate
CID 18370904

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-5,5-diphenylpentanoate?
The IUPAC name of methyl 2-oxo-5,5-diphenylpentanoate (CID 18371006) is methyl 2-oxo-5,5-diphenylpentanoate.
What is the SMILES notation for methyl 2-oxo-5,5-diphenylpentanoate?
The canonical SMILES for methyl 2-oxo-5,5-diphenylpentanoate is COC(=O)C(=O)CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-oxo-5,5-diphenylpentanoate?
The InChIKey is XVJBCEXOMDSJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-21-18(20)17(19)13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3.
What are the key properties of methyl 2-oxo-5,5-diphenylpentanoate?
methyl 2-oxo-5,5-diphenylpentanoate has a molecular weight of 282.34 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-5,5-diphenylpentanoate is sourced from PubChem (CID 18371006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).