5,5-dipentylfuran-2-one

C14H24O2 — CID 12712268

IUPAC5,5-dipentylfuran-2-one
SMILESCCCCCC1(CCCCC)C=CC(=O)O1
InChIInChI=1S/C14H24O2/c1-3-5-7-10-14(11-8-6-4-2)12-9-13(15)16-14/h9,12H,3-8,10-11H2,1-2H3
InChIKeyWRVKOEFYZNGWBU-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.00
Rot. Bonds8

About 5,5-dipentylfuran-2-one

5,5-dipentylfuran-2-one (PubChem CID 12712268) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 5,5-dipentylfuran-2-one.

Molecular Properties

Compound Name5,5-dipentylfuran-2-one
PubChem CID12712268
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name5,5-dipentylfuran-2-one
SMILESCCCCCC1(CCCCC)C=CC(=O)O1
InChIInChI=1S/C14H24O2/c1-3-5-7-10-14(11-8-6-4-2)12-9-13(15)16-14/h9,12H,3-8,10-11H2,1-2H3
InChIKeyWRVKOEFYZNGWBU-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dipentylfuran-2-one?
The IUPAC name of 5,5-dipentylfuran-2-one (CID 12712268) is 5,5-dipentylfuran-2-one.
What is the SMILES notation for 5,5-dipentylfuran-2-one?
The canonical SMILES for 5,5-dipentylfuran-2-one is CCCCCC1(CCCCC)C=CC(=O)O1.
What is the InChIKey of 5,5-dipentylfuran-2-one?
The InChIKey is WRVKOEFYZNGWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-7-10-14(11-8-6-4-2)12-9-13(15)16-14/h9,12H,3-8,10-11H2,1-2H3.
What are the key properties of 5,5-dipentylfuran-2-one?
5,5-dipentylfuran-2-one has a molecular weight of 224.34 g/mol, XLogP of 4.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dipentylfuran-2-one is sourced from PubChem (CID 12712268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).