5-pentyl-3H-furan-2-one

C9H14O2 — CID 10725569

IUPAC5-pentyl-3H-furan-2-one
SMILESCCCCCC1=CCC(=O)O1
InChIInChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h6H,2-5,7H2,1H3
InChIKeyPGAMJXWVUGDLRA-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.40
Rot. Bonds4

About 5-pentyl-3H-furan-2-one

5-pentyl-3H-furan-2-one (PubChem CID 10725569) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-pentyl-3H-furan-2-one.

Molecular Properties

Compound Name5-pentyl-3H-furan-2-one
PubChem CID10725569
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name5-pentyl-3H-furan-2-one
SMILESCCCCCC1=CCC(=O)O1
InChIInChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h6H,2-5,7H2,1H3
InChIKeyPGAMJXWVUGDLRA-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.40
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-pentyl-3H-furan-2-one?
The IUPAC name of 5-pentyl-3H-furan-2-one (CID 10725569) is 5-pentyl-3H-furan-2-one.
What is the SMILES notation for 5-pentyl-3H-furan-2-one?
The canonical SMILES for 5-pentyl-3H-furan-2-one is CCCCCC1=CCC(=O)O1.
What is the InChIKey of 5-pentyl-3H-furan-2-one?
The InChIKey is PGAMJXWVUGDLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-3-4-5-8-6-7-9(10)11-8/h6H,2-5,7H2,1H3.
What are the key properties of 5-pentyl-3H-furan-2-one?
5-pentyl-3H-furan-2-one has a molecular weight of 154.21 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-3H-furan-2-one is sourced from PubChem (CID 10725569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).