diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate

C19H28O6 — CID 2922326

IUPACdiethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate
SMILESCCOC(=O)C(CCOCCOc1cccc(CC)c1)C(=O)OCC
InChIInChI=1S/C19H28O6/c1-4-15-8-7-9-16(14-15)25-13-12-22-11-10-17(18(20)23-5-2)19(21)24-6-3/h7-9,14,17H,4-6,10-13H2,1-3H3
InChIKeyFMAFAIDQSUFQMT-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.78
Rot. Bonds12

About diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate

diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate (PubChem CID 2922326) has the molecular formula C19H28O6 and a molecular weight of 352.43 g/mol. Its IUPAC name is diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate
PubChem CID2922326
Molecular FormulaC19H28O6
Molecular Weight352.43 g/mol
Exact Mass352.19
IUPAC Namediethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate
SMILESCCOC(=O)C(CCOCCOc1cccc(CC)c1)C(=O)OCC
InChIInChI=1S/C19H28O6/c1-4-15-8-7-9-16(14-15)25-13-12-22-11-10-17(18(20)23-5-2)19(21)24-6-3/h7-9,14,17H,4-6,10-13H2,1-3H3
InChIKeyFMAFAIDQSUFQMT-UHFFFAOYSA-N
XLogP2.78
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354124
ethyl 2-(3-ethylphenoxy)pentanoate
CID 83038247
propyl 2-(3-ethylphenoxy)acetate
CID 71628037
4-O-[2-(3-ethylphenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308189
4-(3-ethylphenoxy)butanamide
CID 82040637
diethyl 2-[2-[2-(4-nitrophenoxy)ethoxy]ethyl]propanedioate
CID 121451855
N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]butan-1-amine;oxalic acid
CID 2922395
ethyl 2-amino-4-(2-phenoxyethoxy)butanoate
CID 63039473
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
diethyl 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanedioate
CID 25178903
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate?
The IUPAC name of diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate (CID 2922326) is diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate.
What is the SMILES notation for diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate?
The canonical SMILES for diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate is CCOC(=O)C(CCOCCOc1cccc(CC)c1)C(=O)OCC.
What is the InChIKey of diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate?
The InChIKey is FMAFAIDQSUFQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O6/c1-4-15-8-7-9-16(14-15)25-13-12-22-11-10-17(18(20)23-5-2)19(21)24-6-3/h7-9,14,17H,4-6,10-13H2,1-3H3.
What are the key properties of diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate?
diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate has a molecular weight of 352.43 g/mol, XLogP of 2.78, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate is sourced from PubChem (CID 2922326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).