diethyl 2-(1-cyclohexylethyl)propanedioate

C15H26O4 — CID 13414765

IUPACdiethyl 2-(1-cyclohexylethyl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C(C)C1CCCCC1
InChIInChI=1S/C15H26O4/c1-4-18-14(16)13(15(17)19-5-2)11(3)12-9-7-6-8-10-12/h11-13H,4-10H2,1-3H3
InChIKeyUEXORIFHUHALGA-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.95
Rot. Bonds6

About diethyl 2-(1-cyclohexylethyl)propanedioate

diethyl 2-(1-cyclohexylethyl)propanedioate (PubChem CID 13414765) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is diethyl 2-(1-cyclohexylethyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(1-cyclohexylethyl)propanedioate
PubChem CID13414765
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namediethyl 2-(1-cyclohexylethyl)propanedioate
SMILESCCOC(=O)C(C(=O)OCC)C(C)C1CCCCC1
InChIInChI=1S/C15H26O4/c1-4-18-14(16)13(15(17)19-5-2)11(3)12-9-7-6-8-10-12/h11-13H,4-10H2,1-3H3
InChIKeyUEXORIFHUHALGA-UHFFFAOYSA-N
XLogP2.95
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diethyl 2-(1-cyclohexylethyl)propanedioate 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-(1-cyclohexylethyl)propanedioate?
The IUPAC name of diethyl 2-(1-cyclohexylethyl)propanedioate (CID 13414765) is diethyl 2-(1-cyclohexylethyl)propanedioate.
What is the SMILES notation for diethyl 2-(1-cyclohexylethyl)propanedioate?
The canonical SMILES for diethyl 2-(1-cyclohexylethyl)propanedioate is CCOC(=O)C(C(=O)OCC)C(C)C1CCCCC1.
What is the InChIKey of diethyl 2-(1-cyclohexylethyl)propanedioate?
The InChIKey is UEXORIFHUHALGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-4-18-14(16)13(15(17)19-5-2)11(3)12-9-7-6-8-10-12/h11-13H,4-10H2,1-3H3.
What are the key properties of diethyl 2-(1-cyclohexylethyl)propanedioate?
diethyl 2-(1-cyclohexylethyl)propanedioate has a molecular weight of 270.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(1-cyclohexylethyl)propanedioate is sourced from PubChem (CID 13414765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).