diethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate

C14H24O6 — CID 14272263

IUPACdiethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate
SMILESCCOC(=O)C(CCCC1(C)OCCO1)C(=O)OCC
InChIInChI=1S/C14H24O6/c1-4-17-12(15)11(13(16)18-5-2)7-6-8-14(3)19-9-10-20-14/h11H,4-10H2,1-3H3
InChIKeyLFDYJVUHUFQXDL-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.66
Rot. Bonds8

About diethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate

diethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate (PubChem CID 14272263) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is diethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate
PubChem CID14272263
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Namediethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate
SMILESCCOC(=O)C(CCCC1(C)OCCO1)C(=O)OCC
InChIInChI=1S/C14H24O6/c1-4-17-12(15)11(13(16)18-5-2)7-6-8-14(3)19-9-10-20-14/h11H,4-10H2,1-3H3
InChIKeyLFDYJVUHUFQXDL-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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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate?
The IUPAC name of diethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate (CID 14272263) is diethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate.
What is the SMILES notation for diethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate?
The canonical SMILES for diethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate is CCOC(=O)C(CCCC1(C)OCCO1)C(=O)OCC.
What is the InChIKey of diethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate?
The InChIKey is LFDYJVUHUFQXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-4-17-12(15)11(13(16)18-5-2)7-6-8-14(3)19-9-10-20-14/h11H,4-10H2,1-3H3.
What are the key properties of diethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate?
diethyl 2-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate 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-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]propanedioate is sourced from PubChem (CID 14272263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).