1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate

C25H44O5 — CID 15723388

IUPAC1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate
SMILESCCCCCCCCCCCCCCCCCCC(OC(C)=O)C1=CC(=O)OC1O
InChIInChI=1S/C25H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(29-21(2)26)22-20-24(27)30-25(22)28/h20,23,25,28H,3-19H2,1-2H3
InChIKeyKGPHIYXBSZSLFA-UHFFFAOYSA-N
MW424.62 g/mol
LogP6.37
Rot. Bonds19

About 1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate

1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate (PubChem CID 15723388) has the molecular formula C25H44O5 and a molecular weight of 424.62 g/mol. Its IUPAC name is 1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate.

Molecular Properties

Compound Name1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate
PubChem CID15723388
Molecular FormulaC25H44O5
Molecular Weight424.62 g/mol
Exact Mass424.32
IUPAC Name1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate
SMILESCCCCCCCCCCCCCCCCCCC(OC(C)=O)C1=CC(=O)OC1O
InChIInChI=1S/C25H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(29-21(2)26)22-20-24(27)30-25(22)28/h20,23,25,28H,3-19H2,1-2H3
InChIKeyKGPHIYXBSZSLFA-UHFFFAOYSA-N
XLogP6.37
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.62
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate 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

Manoalide
CID 6437368
2-hydroxy-3-[(2R,6R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one
CID 5283542
2-hydroxy-3-[6-hydroxy-5-[4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one
CID 4009
5-Hydroxy-4-[6-hydroxy-5-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienyl)-3,6-dihydro-2H-pyran-2-yl]-5H-furan-2-one
CID 10024065
[14-acetyloxy-1,14-bis(2-hydroxy-5-oxo-2H-furan-3-yl)tetradecyl] acetate
CID 155532453
[14-(2,2-dimethylpropanoyloxy)-1,14-bis(2-hydroxy-5-oxo-2H-furan-3-yl)tetradecyl] 2,2-dimethylpropanoate
CID 155562821
Jxclivlczcuojg-caooackpsa-
CID 11338615
2-hydroxy-3-[(2R,6S)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one
CID 44583743
Aplysinoplide B
CID 24896702
Hippolide E
CID 53355992
Agn 190383
CID 149069
5-Hydroxy-4-[5-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienyl)-3,6-dihydro-2H-pyran-2-yl]-5H-furan-2-one
CID 10548221

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate?
The IUPAC name of 1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate (CID 15723388) is 1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate.
What is the SMILES notation for 1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate?
The canonical SMILES for 1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate is CCCCCCCCCCCCCCCCCCC(OC(C)=O)C1=CC(=O)OC1O.
What is the InChIKey of 1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate?
The InChIKey is KGPHIYXBSZSLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(29-21(2)26)22-20-24(27)30-25(22)28/h20,23,25,28H,3-19H2,1-2H3.
What are the key properties of 1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate?
1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate has a molecular weight of 424.62 g/mol, XLogP of 6.37, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-oxo-2H-furan-3-yl)nonadecyl acetate is sourced from PubChem (CID 15723388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).