dipropan-2-yl 2-ethyl-2-phenylpropanedioate

C17H24O4 — CID 118088427

IUPACdipropan-2-yl 2-ethyl-2-phenylpropanedioate
SMILESCCC(C(=O)OC(C)C)(C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C17H24O4/c1-6-17(15(18)20-12(2)3,16(19)21-13(4)5)14-10-8-7-9-11-14/h7-13H,6H2,1-5H3
InChIKeyUZWCOZDBUZSWML-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.24
Rot. Bonds6

About dipropan-2-yl 2-ethyl-2-phenylpropanedioate

dipropan-2-yl 2-ethyl-2-phenylpropanedioate (PubChem CID 118088427) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is dipropan-2-yl 2-ethyl-2-phenylpropanedioate.

Molecular Properties

Compound Namedipropan-2-yl 2-ethyl-2-phenylpropanedioate
PubChem CID118088427
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Namedipropan-2-yl 2-ethyl-2-phenylpropanedioate
SMILESCCC(C(=O)OC(C)C)(C(=O)OC(C)C)c1ccccc1
InChIInChI=1S/C17H24O4/c1-6-17(15(18)20-12(2)3,16(19)21-13(4)5)14-10-8-7-9-11-14/h7-13H,6H2,1-5H3
InChIKeyUZWCOZDBUZSWML-UHFFFAOYSA-N
XLogP3.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylpropyl) 2-ethyl-2-phenylpropanedioate
CID 118088367
propan-2-yl 2-hydroxy-2,3-diphenylpropanoate
CID 68875154
propan-2-yl 2,2-dimethyl-3-trityloxypropanoate
CID 135147480
lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride
CID 174967816
2-carbonochloridoyl-2-phenylbutanoic acid
CID 82254336
propan-2-yl (2S)-2-hydroxy-3-nitro-2-phenylpropanoate
CID 125473919
diaziridin-3-one;propan-2-yl 2-methyl-2-phenylpropanoate
CID 70622755
sodium 2-ethoxycarbonyl-2-phenylbutanoate
CID 19003499
2-ethoxycarbonyl-4-hydroxy-2-phenylpentanoic acid
CID 113360489
(2-oxo-2-propan-2-yloxyethyl) 2-hydroxy-2-phenylpropanoate
CID 54462565
bis(2-methylpropyl) 2-(2-methylpropyl)-2-phenylpropanedioate
CID 118088533
diethyl 2-(hydroxymethyl)-2-phenylpropanedioate
CID 22236963

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 2-ethyl-2-phenylpropanedioate?
The IUPAC name of dipropan-2-yl 2-ethyl-2-phenylpropanedioate (CID 118088427) is dipropan-2-yl 2-ethyl-2-phenylpropanedioate.
What is the SMILES notation for dipropan-2-yl 2-ethyl-2-phenylpropanedioate?
The canonical SMILES for dipropan-2-yl 2-ethyl-2-phenylpropanedioate is CCC(C(=O)OC(C)C)(C(=O)OC(C)C)c1ccccc1.
What is the InChIKey of dipropan-2-yl 2-ethyl-2-phenylpropanedioate?
The InChIKey is UZWCOZDBUZSWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-6-17(15(18)20-12(2)3,16(19)21-13(4)5)14-10-8-7-9-11-14/h7-13H,6H2,1-5H3.
What are the key properties of dipropan-2-yl 2-ethyl-2-phenylpropanedioate?
dipropan-2-yl 2-ethyl-2-phenylpropanedioate has a molecular weight of 292.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 2-ethyl-2-phenylpropanedioate is sourced from PubChem (CID 118088427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).