3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione

C14H24O4 — CID 154978935

IUPAC3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione
SMILESCCCC(OCC(C)C)C1C(=O)OC(=O)C1CC
InChIInChI=1S/C14H24O4/c1-5-7-11(17-8-9(3)4)12-10(6-2)13(15)18-14(12)16/h9-12H,5-8H2,1-4H3
InChIKeyFZDLDZYILWOYCS-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.55
Rot. Bonds7

About 3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione

3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione (PubChem CID 154978935) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione
PubChem CID154978935
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione
SMILESCCCC(OCC(C)C)C1C(=O)OC(=O)C1CC
InChIInChI=1S/C14H24O4/c1-5-7-11(17-8-9(3)4)12-10(6-2)13(15)18-14(12)16/h9-12H,5-8H2,1-4H3
InChIKeyFZDLDZYILWOYCS-UHFFFAOYSA-N
XLogP2.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione 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 3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione?
The IUPAC name of 3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione (CID 154978935) is 3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione.
What is the SMILES notation for 3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione?
The canonical SMILES for 3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione is CCCC(OCC(C)C)C1C(=O)OC(=O)C1CC.
What is the InChIKey of 3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione?
The InChIKey is FZDLDZYILWOYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-5-7-11(17-8-9(3)4)12-10(6-2)13(15)18-14(12)16/h9-12H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione?
3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione has a molecular weight of 256.34 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[1-(2-methylpropoxy)butyl]oxolane-2,5-dione is sourced from PubChem (CID 154978935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).