diethyl 2,3-dimethoxybutanedioate

C10H18O6 — CID 575878

IUPACdiethyl 2,3-dimethoxybutanedioate
SMILESCCOC(=O)C(OC)C(OC)C(=O)OCC
InChIInChI=1S/C10H18O6/c1-5-15-9(11)7(13-3)8(14-4)10(12)16-6-2/h7-8H,5-6H2,1-4H3
InChIKeyGBLRBXULFQVLRG-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.14
Rot. Bonds7

About diethyl 2,3-dimethoxybutanedioate

diethyl 2,3-dimethoxybutanedioate (PubChem CID 575878) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is diethyl 2,3-dimethoxybutanedioate.

Molecular Properties

Compound Namediethyl 2,3-dimethoxybutanedioate
PubChem CID575878
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Namediethyl 2,3-dimethoxybutanedioate
SMILESCCOC(=O)C(OC)C(OC)C(=O)OCC
InChIInChI=1S/C10H18O6/c1-5-15-9(11)7(13-3)8(14-4)10(12)16-6-2/h7-8H,5-6H2,1-4H3
InChIKeyGBLRBXULFQVLRG-UHFFFAOYSA-N
XLogP0.14
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 2,3-dimethoxybutanedioate?
The IUPAC name of diethyl 2,3-dimethoxybutanedioate (CID 575878) is diethyl 2,3-dimethoxybutanedioate.
What is the SMILES notation for diethyl 2,3-dimethoxybutanedioate?
The canonical SMILES for diethyl 2,3-dimethoxybutanedioate is CCOC(=O)C(OC)C(OC)C(=O)OCC.
What is the InChIKey of diethyl 2,3-dimethoxybutanedioate?
The InChIKey is GBLRBXULFQVLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-5-15-9(11)7(13-3)8(14-4)10(12)16-6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of diethyl 2,3-dimethoxybutanedioate?
diethyl 2,3-dimethoxybutanedioate has a molecular weight of 234.25 g/mol, XLogP of 0.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,3-dimethoxybutanedioate is sourced from PubChem (CID 575878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).