sodium 5-oxo-4-undecanoyl-2H-furan-3-olate

C15H23NaO4 — CID 20645667

IUPACsodium 5-oxo-4-undecanoyl-2H-furan-3-olate
SMILESCCCCCCCCCCC(=O)C1=C([O-])COC1=O.[Na+]
InChIInChI=1S/C15H24O4.Na/c1-2-3-4-5-6-7-8-9-10-12(16)14-13(17)11-19-15(14)18;/h17H,2-11H2,1H3;/q;+1/p-1
InChIKeyLXNQMLUAYOVDCN-UHFFFAOYSA-M
MW290.33 g/mol
LogP-0.74
Rot. Bonds10

About sodium 5-oxo-4-undecanoyl-2H-furan-3-olate

sodium 5-oxo-4-undecanoyl-2H-furan-3-olate (PubChem CID 20645667) has the molecular formula C15H23NaO4 and a molecular weight of 290.33 g/mol. Its IUPAC name is sodium 5-oxo-4-undecanoyl-2H-furan-3-olate.

Molecular Properties

Compound Namesodium 5-oxo-4-undecanoyl-2H-furan-3-olate
PubChem CID20645667
Molecular FormulaC15H23NaO4
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Namesodium 5-oxo-4-undecanoyl-2H-furan-3-olate
SMILESCCCCCCCCCCC(=O)C1=C([O-])COC1=O.[Na+]
InChIInChI=1S/C15H24O4.Na/c1-2-3-4-5-6-7-8-9-10-12(16)14-13(17)11-19-15(14)18;/h17H,2-11H2,1H3;/q;+1/p-1
InChIKeyLXNQMLUAYOVDCN-UHFFFAOYSA-M
XLogP-0.74
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze sodium 5-oxo-4-undecanoyl-2H-furan-3-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-4-Hydroxy-5-(hydroxymethyl)-3-(1-oxohexadecyl)-2(5H)-furanone
CID 54678922
4-hexadecanoyl-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one
CID 54685915
(4-hexadecanoyl-3-hydroxy-5-oxo-2H-furan-2-yl)methyl acetate
CID 70240311
4-hexadecanoyl-3-hydroxy-2-(hydroxymethyl)-2H-uran-5-one
CID 54690140
(2R)-4-hexadecanoyl-3-hydroxy-2-methyl-2H-furan-5-one
CID 54690056
nonyl 2-[(2R)-4-hexadecanoyl-3-hydroxy-5-oxo-2H-furan-2-yl]acetate
CID 54727419
methyl 2-[(2R)-4-hexadecanoyl-3-hydroxy-5-oxo-2H-furan-2-yl]acetate
CID 54727421
3-hydroxy-2-(hydroxymethyl)-4-tetradecanoyl-2H-furan-5-one
CID 23715863
Tetronic acid, 4OH-3C14H29CO deriv.
CID 23715864
4-Hydroxy-3-octyl-2(5H)-furanone
CID 54692150
2-Hexadecyl-5-oxo-cyclopent-1-enecarboxylic acid methyl ester
CID 11842931
CID 54684785
CID 54684785

Frequently Asked Questions

What is the IUPAC name of sodium 5-oxo-4-undecanoyl-2H-furan-3-olate?
The IUPAC name of sodium 5-oxo-4-undecanoyl-2H-furan-3-olate (CID 20645667) is sodium 5-oxo-4-undecanoyl-2H-furan-3-olate.
What is the SMILES notation for sodium 5-oxo-4-undecanoyl-2H-furan-3-olate?
The canonical SMILES for sodium 5-oxo-4-undecanoyl-2H-furan-3-olate is CCCCCCCCCCC(=O)C1=C([O-])COC1=O.[Na+].
What is the InChIKey of sodium 5-oxo-4-undecanoyl-2H-furan-3-olate?
The InChIKey is LXNQMLUAYOVDCN-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H24O4.Na/c1-2-3-4-5-6-7-8-9-10-12(16)14-13(17)11-19-15(14)18;/h17H,2-11H2,1H3;/q;+1/p-1.
What are the key properties of sodium 5-oxo-4-undecanoyl-2H-furan-3-olate?
sodium 5-oxo-4-undecanoyl-2H-furan-3-olate has a molecular weight of 290.33 g/mol, XLogP of -0.74, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-oxo-4-undecanoyl-2H-furan-3-olate is sourced from PubChem (CID 20645667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).