diethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate

C19H24O5 — CID 132820039

IUPACdiethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate
SMILESCCOC(=O)C(CC1(c2ccccc2)CCCC1=O)C(=O)OCC
InChIInChI=1S/C19H24O5/c1-3-23-17(21)15(18(22)24-4-2)13-19(12-8-11-16(19)20)14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3
InChIKeyYWZNLTRJEQIOIG-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.81
Rot. Bonds7

About diethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate

diethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate (PubChem CID 132820039) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is diethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate
PubChem CID132820039
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Namediethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate
SMILESCCOC(=O)C(CC1(c2ccccc2)CCCC1=O)C(=O)OCC
InChIInChI=1S/C19H24O5/c1-3-23-17(21)15(18(22)24-4-2)13-19(12-8-11-16(19)20)14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3
InChIKeyYWZNLTRJEQIOIG-UHFFFAOYSA-N
XLogP2.81
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(chloromethyl)-2-phenylcyclopentan-1-one
CID 102230862
ethyl (1R)-2-oxo-1-[(2R)-3-oxo-2-phenylbutyl]cyclopentane-1-carboxylate
CID 10804320
2-(bromomethyl)-2-phenylcyclotridecan-1-one
CID 132609011
2-phenyl-2-(2,2,2-trifluoroethyl)cyclopentan-1-one
CID 122215213
ethyl 2,2-difluoro-3-[1-(4-fluorophenyl)-2-oxocyclopentyl]propanoate
CID 132511482
ethyl 1-anilino-2-oxocyclopentane-1-carboxylate
CID 122404130
ethyl 2-[1-(3-methoxyphenyl)-2-oxocyclohexyl]acetate
CID 12838404
diethyl 2-[(1R,2S)-2-methyl-5-oxo-2-phenylcyclohex-3-en-1-yl]propanedioate
CID 102204126
ethyl 2-[1-(3-methoxyphenyl)-2-oxocycloheptyl]acetate
CID 23345431
2-benzyl-3-ethoxy-3-oxopropanoic acid;ethane
CID 91542343
ethyl (1R)-2-oxo-1-[2-(triphenyl-λ5-phosphanylidene)acetyl]cyclopentane-1-carboxylate
CID 102240826
1-(1-ethoxy-1-oxobutan-2-yl)-2-oxocyclopentane-1-carboxylic acid
CID 67211001

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate?
The IUPAC name of diethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate (CID 132820039) is diethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate.
What is the SMILES notation for diethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate?
The canonical SMILES for diethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate is CCOC(=O)C(CC1(c2ccccc2)CCCC1=O)C(=O)OCC.
What is the InChIKey of diethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate?
The InChIKey is YWZNLTRJEQIOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O5/c1-3-23-17(21)15(18(22)24-4-2)13-19(12-8-11-16(19)20)14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3.
What are the key properties of diethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate?
diethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate has a molecular weight of 332.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(2-oxo-1-phenylcyclopentyl)methyl]propanedioate is sourced from PubChem (CID 132820039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).