2-hydroxy-4-tridecyl-2H-furan-5-one

C17H30O3 — CID 19909502

IUPAC2-hydroxy-4-tridecyl-2H-furan-5-one
SMILESCCCCCCCCCCCCCC1=CC(O)OC1=O
InChIInChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16(18)20-17(15)19/h14,16,18H,2-13H2,1H3
InChIKeyHIOYEUSFRCRWBY-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.49
Rot. Bonds12

About 2-hydroxy-4-tridecyl-2H-furan-5-one

2-hydroxy-4-tridecyl-2H-furan-5-one (PubChem CID 19909502) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 2-hydroxy-4-tridecyl-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-4-tridecyl-2H-furan-5-one
PubChem CID19909502
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name2-hydroxy-4-tridecyl-2H-furan-5-one
SMILESCCCCCCCCCCCCCC1=CC(O)OC1=O
InChIInChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16(18)20-17(15)19/h14,16,18H,2-13H2,1H3
InChIKeyHIOYEUSFRCRWBY-UHFFFAOYSA-N
XLogP4.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-hydroxy-4-tridecyl-2H-furan-5-one?
The IUPAC name of 2-hydroxy-4-tridecyl-2H-furan-5-one (CID 19909502) is 2-hydroxy-4-tridecyl-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-4-tridecyl-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-4-tridecyl-2H-furan-5-one is CCCCCCCCCCCCCC1=CC(O)OC1=O.
What is the InChIKey of 2-hydroxy-4-tridecyl-2H-furan-5-one?
The InChIKey is HIOYEUSFRCRWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16(18)20-17(15)19/h14,16,18H,2-13H2,1H3.
What are the key properties of 2-hydroxy-4-tridecyl-2H-furan-5-one?
2-hydroxy-4-tridecyl-2H-furan-5-one has a molecular weight of 282.42 g/mol, XLogP of 4.49, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-tridecyl-2H-furan-5-one is sourced from PubChem (CID 19909502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).