3,4-dicyclopentylfuran-2,5-dione

C14H18O3 — CID 57026233

IUPAC3,4-dicyclopentylfuran-2,5-dione
SMILESO=C1OC(=O)C(C2CCCC2)=C1C1CCCC1
InChIInChI=1S/C14H18O3/c15-13-11(9-5-1-2-6-9)12(14(16)17-13)10-7-3-4-8-10/h9-10H,1-8H2
InChIKeyDZADAVBWCNRYDD-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.75
Rot. Bonds2

About 3,4-dicyclopentylfuran-2,5-dione

3,4-dicyclopentylfuran-2,5-dione (PubChem CID 57026233) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3,4-dicyclopentylfuran-2,5-dione.

Molecular Properties

Compound Name3,4-dicyclopentylfuran-2,5-dione
PubChem CID57026233
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name3,4-dicyclopentylfuran-2,5-dione
SMILESO=C1OC(=O)C(C2CCCC2)=C1C1CCCC1
InChIInChI=1S/C14H18O3/c15-13-11(9-5-1-2-6-9)12(14(16)17-13)10-7-3-4-8-10/h9-10H,1-8H2
InChIKeyDZADAVBWCNRYDD-UHFFFAOYSA-N
XLogP2.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dicyclopentylfuran-2,5-dione?
The IUPAC name of 3,4-dicyclopentylfuran-2,5-dione (CID 57026233) is 3,4-dicyclopentylfuran-2,5-dione.
What is the SMILES notation for 3,4-dicyclopentylfuran-2,5-dione?
The canonical SMILES for 3,4-dicyclopentylfuran-2,5-dione is O=C1OC(=O)C(C2CCCC2)=C1C1CCCC1.
What is the InChIKey of 3,4-dicyclopentylfuran-2,5-dione?
The InChIKey is DZADAVBWCNRYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-13-11(9-5-1-2-6-9)12(14(16)17-13)10-7-3-4-8-10/h9-10H,1-8H2.
What are the key properties of 3,4-dicyclopentylfuran-2,5-dione?
3,4-dicyclopentylfuran-2,5-dione has a molecular weight of 234.29 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dicyclopentylfuran-2,5-dione is sourced from PubChem (CID 57026233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).