diethyl 2-methoxy-2-prop-2-enylpropanedioate

C11H18O5 — CID 14605472

IUPACdiethyl 2-methoxy-2-prop-2-enylpropanedioate
SMILESC=CCC(OC)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C11H18O5/c1-5-8-11(14-4,9(12)15-6-2)10(13)16-7-3/h5H,1,6-8H2,2-4H3
InChIKeyMPQQODQTJGINQU-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.07
Rot. Bonds7

About diethyl 2-methoxy-2-prop-2-enylpropanedioate

diethyl 2-methoxy-2-prop-2-enylpropanedioate (PubChem CID 14605472) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is diethyl 2-methoxy-2-prop-2-enylpropanedioate.

Molecular Properties

Compound Namediethyl 2-methoxy-2-prop-2-enylpropanedioate
PubChem CID14605472
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Namediethyl 2-methoxy-2-prop-2-enylpropanedioate
SMILESC=CCC(OC)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C11H18O5/c1-5-8-11(14-4,9(12)15-6-2)10(13)16-7-3/h5H,1,6-8H2,2-4H3
InChIKeyMPQQODQTJGINQU-UHFFFAOYSA-N
XLogP1.07
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze diethyl 2-methoxy-2-prop-2-enylpropanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methoxy-2-prop-2-enylpropanedioate?
The IUPAC name of diethyl 2-methoxy-2-prop-2-enylpropanedioate (CID 14605472) is diethyl 2-methoxy-2-prop-2-enylpropanedioate.
What is the SMILES notation for diethyl 2-methoxy-2-prop-2-enylpropanedioate?
The canonical SMILES for diethyl 2-methoxy-2-prop-2-enylpropanedioate is C=CCC(OC)(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-methoxy-2-prop-2-enylpropanedioate?
The InChIKey is MPQQODQTJGINQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-5-8-11(14-4,9(12)15-6-2)10(13)16-7-3/h5H,1,6-8H2,2-4H3.
What are the key properties of diethyl 2-methoxy-2-prop-2-enylpropanedioate?
diethyl 2-methoxy-2-prop-2-enylpropanedioate has a molecular weight of 230.26 g/mol, XLogP of 1.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methoxy-2-prop-2-enylpropanedioate is sourced from PubChem (CID 14605472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).