diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate

C15H22O5 — CID 103972824

IUPACdiethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate
SMILESCCCC(Cc1ccco1)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H22O5/c1-4-9-15(13(16)18-5-2,14(17)19-6-3)11-12-8-7-10-20-12/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyAVEKUQUSNQGQHJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.73
Rot. Bonds8

About diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate

diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate (PubChem CID 103972824) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate.

Molecular Properties

Compound Namediethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate
PubChem CID103972824
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Namediethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate
SMILESCCCC(Cc1ccco1)(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C15H22O5/c1-4-9-15(13(16)18-5-2,14(17)19-6-3)11-12-8-7-10-20-12/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyAVEKUQUSNQGQHJ-UHFFFAOYSA-N
XLogP2.73
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate with MolForge

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

Launch Full Analysis

Related Compounds

diethyl 2-(furan-2-ylmethyl)-2-(2-methylpropyl)propanedioate
CID 103972769
diethyl 2-[[2-[2,2-bis(ethoxycarbonyl)pentyl]phenyl]methyl]-2-propylpropanedioate
CID 95932035
diethyl 2-(5,5-dimethylhexa-2,3-dienyl)-2-(furan-2-ylmethyl)propanedioate
CID 135072956
2,2-bis(furan-2-ylmethyl)pentanoic acid
CID 174666609
2-benzyl-2-ethoxycarbonylpentanoic acid
CID 103973697
ethyl 2-amino-3-(furan-2-yl)propanoate
CID 22608494
ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate
CID 117048556
3-O-benzyl 1-O-ethyl 2,2-dipropylpropanedioate
CID 175178749
ethyl 2-(furan-2-ylmethoxy)pentanoate
CID 83038819
diethyl 2-(furan-2-yl)-2-hydroxypropanedioate
CID 12836548
2-(furan-2-ylmethyl)-2-methylbutanoic acid
CID 62998305
diethyl 2-amino-2-(furan-2-carbonyl)propanedioate
CID 174833860

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate?
The IUPAC name of diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate (CID 103972824) is diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate.
What is the SMILES notation for diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate?
The canonical SMILES for diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate is CCCC(Cc1ccco1)(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate?
The InChIKey is AVEKUQUSNQGQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-4-9-15(13(16)18-5-2,14(17)19-6-3)11-12-8-7-10-20-12/h7-8,10H,4-6,9,11H2,1-3H3.
What are the key properties of diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate?
diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate has a molecular weight of 282.34 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(furan-2-ylmethyl)-2-propylpropanedioate is sourced from PubChem (CID 103972824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).