2-hydroxy-4-(4-oxoundecyl)-2H-furan-5-one

C15H24O4 — CID 19433155

IUPAC2-hydroxy-4-(4-oxoundecyl)-2H-furan-5-one
SMILESCCCCCCCC(=O)CCCC1=CC(O)OC1=O
InChIInChI=1S/C15H24O4/c1-2-3-4-5-6-9-13(16)10-7-8-12-11-14(17)19-15(12)18/h11,14,17H,2-10H2,1H3
InChIKeyDWRSOLYYBPANAG-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.89
Rot. Bonds10

About 2-hydroxy-4-(4-oxoundecyl)-2H-furan-5-one

2-hydroxy-4-(4-oxoundecyl)-2H-furan-5-one (PubChem CID 19433155) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-hydroxy-4-(4-oxoundecyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-hydroxy-4-(4-oxoundecyl)-2H-furan-5-one
PubChem CID19433155
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name2-hydroxy-4-(4-oxoundecyl)-2H-furan-5-one
SMILESCCCCCCCC(=O)CCCC1=CC(O)OC1=O
InChIInChI=1S/C15H24O4/c1-2-3-4-5-6-9-13(16)10-7-8-12-11-14(17)19-15(12)18/h11,14,17H,2-10H2,1H3
InChIKeyDWRSOLYYBPANAG-UHFFFAOYSA-N
XLogP2.89
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-oxoundecyl)-2H-furan-5-one?
The IUPAC name of 2-hydroxy-4-(4-oxoundecyl)-2H-furan-5-one (CID 19433155) is 2-hydroxy-4-(4-oxoundecyl)-2H-furan-5-one.
What is the SMILES notation for 2-hydroxy-4-(4-oxoundecyl)-2H-furan-5-one?
The canonical SMILES for 2-hydroxy-4-(4-oxoundecyl)-2H-furan-5-one is CCCCCCCC(=O)CCCC1=CC(O)OC1=O.
What is the InChIKey of 2-hydroxy-4-(4-oxoundecyl)-2H-furan-5-one?
The InChIKey is DWRSOLYYBPANAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-2-3-4-5-6-9-13(16)10-7-8-12-11-14(17)19-15(12)18/h11,14,17H,2-10H2,1H3.
What are the key properties of 2-hydroxy-4-(4-oxoundecyl)-2H-furan-5-one?
2-hydroxy-4-(4-oxoundecyl)-2H-furan-5-one has a molecular weight of 268.35 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(4-oxoundecyl)-2H-furan-5-one is sourced from PubChem (CID 19433155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).