4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione

C14H22O4 — CID 13401439

IUPAC4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione
SMILESCCCCCCCCC1OC(=O)C2OC(=O)CC12
InChIInChI=1S/C14H22O4/c1-2-3-4-5-6-7-8-11-10-9-12(15)18-13(10)14(16)17-11/h10-11,13H,2-9H2,1H3
InChIKeyWRJLHIKDTDUDIM-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.59
Rot. Bonds7

About 4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione

4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione (PubChem CID 13401439) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione.

Molecular Properties

Compound Name4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione
PubChem CID13401439
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione
SMILESCCCCCCCCC1OC(=O)C2OC(=O)CC12
InChIInChI=1S/C14H22O4/c1-2-3-4-5-6-7-8-11-10-9-12(15)18-13(10)14(16)17-11/h10-11,13H,2-9H2,1H3
InChIKeyWRJLHIKDTDUDIM-UHFFFAOYSA-N
XLogP2.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-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 4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione?
The IUPAC name of 4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione (CID 13401439) is 4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione.
What is the SMILES notation for 4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione?
The canonical SMILES for 4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione is CCCCCCCCC1OC(=O)C2OC(=O)CC12.
What is the InChIKey of 4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione?
The InChIKey is WRJLHIKDTDUDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-2-3-4-5-6-7-8-11-10-9-12(15)18-13(10)14(16)17-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione?
4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione has a molecular weight of 254.33 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octyl-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione is sourced from PubChem (CID 13401439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).