dipropyl 2-ethylpropanedioate

C11H20O4 — CID 593837

IUPACdipropyl 2-ethylpropanedioate
SMILESCCCOC(=O)C(CC)C(=O)OCCC
InChIInChI=1S/C11H20O4/c1-4-7-14-10(12)9(6-3)11(13)15-8-5-2/h9H,4-8H2,1-3H3
InChIKeyRZSUKLPCTYXZSU-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.92
Rot. Bonds7

About dipropyl 2-ethylpropanedioate

dipropyl 2-ethylpropanedioate (PubChem CID 593837) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is dipropyl 2-ethylpropanedioate.

Molecular Properties

Compound Namedipropyl 2-ethylpropanedioate
PubChem CID593837
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namedipropyl 2-ethylpropanedioate
SMILESCCCOC(=O)C(CC)C(=O)OCCC
InChIInChI=1S/C11H20O4/c1-4-7-14-10(12)9(6-3)11(13)15-8-5-2/h9H,4-8H2,1-3H3
InChIKeyRZSUKLPCTYXZSU-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dipropyl 2-ethylpropanedioate 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 dipropyl 2-ethylpropanedioate?
The IUPAC name of dipropyl 2-ethylpropanedioate (CID 593837) is dipropyl 2-ethylpropanedioate.
What is the SMILES notation for dipropyl 2-ethylpropanedioate?
The canonical SMILES for dipropyl 2-ethylpropanedioate is CCCOC(=O)C(CC)C(=O)OCCC.
What is the InChIKey of dipropyl 2-ethylpropanedioate?
The InChIKey is RZSUKLPCTYXZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-7-14-10(12)9(6-3)11(13)15-8-5-2/h9H,4-8H2,1-3H3.
What are the key properties of dipropyl 2-ethylpropanedioate?
dipropyl 2-ethylpropanedioate has a molecular weight of 216.28 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2-ethylpropanedioate is sourced from PubChem (CID 593837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).