diethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-ethylpropanedioate

C14H24O6 — CID 71380135

IUPACdiethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-ethylpropanedioate
SMILESCCOC(=O)C(CC)(CCC1OCCO1)C(=O)OCC
InChIInChI=1S/C14H24O6/c1-4-14(12(15)17-5-2,13(16)18-6-3)8-7-11-19-9-10-20-11/h11H,4-10H2,1-3H3
InChIKeyIWHJDYVZGYKGQL-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.66
Rot. Bonds8

About diethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-ethylpropanedioate

diethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-ethylpropanedioate (PubChem CID 71380135) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is diethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-ethylpropanedioate.

Molecular Properties

Compound Namediethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-ethylpropanedioate
PubChem CID71380135
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Namediethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-ethylpropanedioate
SMILESCCOC(=O)C(CC)(CCC1OCCO1)C(=O)OCC
InChIInChI=1S/C14H24O6/c1-4-14(12(15)17-5-2,13(16)18-6-3)8-7-11-19-9-10-20-11/h11H,4-10H2,1-3H3
InChIKeyIWHJDYVZGYKGQL-UHFFFAOYSA-N
XLogP1.66
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-ethyl-2-[3-(oxolan-2-yl)propyl]propanedioate
CID 103973035
diethyl 2-but-3-ynyl-2-ethylpropanedioate
CID 103972995
diethyl 2-ethyl-2-(4,4,4-trifluorobutyl)propanedioate
CID 103973022
diethyl 2-ethyl-2-(4-methoxybutyl)propanedioate
CID 104651057
2-(cyclopropylmethyl)-2-ethoxycarbonylbutanoic acid
CID 103974369
2-ethoxycarbonyl-2-(oxolan-3-ylmethyl)butanoic acid
CID 103974539
ethyl 2,2-diethyl-3-oxohexanoate
CID 79554776
diethyl 2-(2,2-dimethylpropanoyloxymethyl)-2-ethylpropanedioate
CID 88990098
ethyl 2-acetyl-4-oxo-2-(2-oxopropyl)pentanoate
CID 13025253
1-O-butyl 3-O-ethyl 2,2-diethylpropanedioate
CID 119025395
3-O-(2-ethoxyethyl) 1-O-ethyl 2,2-diethylpropanedioate
CID 91696123
ethyl 2,2-dibromobutanoate
CID 11265786

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-ethylpropanedioate?
The IUPAC name of diethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-ethylpropanedioate (CID 71380135) is diethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-ethylpropanedioate.
What is the SMILES notation for diethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-ethylpropanedioate?
The canonical SMILES for diethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-ethylpropanedioate is CCOC(=O)C(CC)(CCC1OCCO1)C(=O)OCC.
What is the InChIKey of diethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-ethylpropanedioate?
The InChIKey is IWHJDYVZGYKGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-4-14(12(15)17-5-2,13(16)18-6-3)8-7-11-19-9-10-20-11/h11H,4-10H2,1-3H3.
What are the key properties of diethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-ethylpropanedioate?
diethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-ethylpropanedioate has a molecular weight of 288.34 g/mol, XLogP of 1.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]-2-ethylpropanedioate is sourced from PubChem (CID 71380135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).