[2-(furan-2-yl)-2-oxoethyl] octadecanoate

C24H40O4 — CID 126696522

IUPAC[2-(furan-2-yl)-2-oxoethyl] octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC(=O)c1ccco1
InChIInChI=1S/C24H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)28-21-22(25)23-18-17-20-27-23/h17-18,20H,2-16,19,21H2,1H3
InChIKeyNIQGMXKQHDLFCM-UHFFFAOYSA-N
MW392.58 g/mol
LogP7.27
Rot. Bonds19

About [2-(furan-2-yl)-2-oxoethyl] octadecanoate

[2-(furan-2-yl)-2-oxoethyl] octadecanoate (PubChem CID 126696522) has the molecular formula C24H40O4 and a molecular weight of 392.58 g/mol. Its IUPAC name is [2-(furan-2-yl)-2-oxoethyl] octadecanoate.

Molecular Properties

Compound Name[2-(furan-2-yl)-2-oxoethyl] octadecanoate
PubChem CID126696522
Molecular FormulaC24H40O4
Molecular Weight392.58 g/mol
Exact Mass392.29
IUPAC Name[2-(furan-2-yl)-2-oxoethyl] octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OCC(=O)c1ccco1
InChIInChI=1S/C24H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)28-21-22(25)23-18-17-20-27-23/h17-18,20H,2-16,19,21H2,1H3
InChIKeyNIQGMXKQHDLFCM-UHFFFAOYSA-N
XLogP7.27
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(furan-2-yl)-2-oxoethyl] octadecanoate 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

1-(furan-2-yl)undecan-1-one
CID 15721327
[2-(furan-2-yl)-2-oxoethyl] 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
CID 17308967
phenacyl tetradecanoate
CID 15920280
phenacyl octadecanoate
CID 14178755
[3-(furan-2-yl)-3-oxopropanoyl] pentanoate
CID 142062801
benzyl heptadecanoate
CID 522569
furan-2-carboxylic acid;hexane
CID 157215891
1-(furan-2-yl)-2-methyldecane-1,3-dione
CID 62633228
phenacyl octadec-6-enoate
CID 71430261
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
benzyl decanoate;N,N-dimethylmethanamine
CID 175539518
(3-heptanoyloxy-2-oxopropyl) heptanoate
CID 134318597

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-2-oxoethyl] octadecanoate?
The IUPAC name of [2-(furan-2-yl)-2-oxoethyl] octadecanoate (CID 126696522) is [2-(furan-2-yl)-2-oxoethyl] octadecanoate.
What is the SMILES notation for [2-(furan-2-yl)-2-oxoethyl] octadecanoate?
The canonical SMILES for [2-(furan-2-yl)-2-oxoethyl] octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OCC(=O)c1ccco1.
What is the InChIKey of [2-(furan-2-yl)-2-oxoethyl] octadecanoate?
The InChIKey is NIQGMXKQHDLFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)28-21-22(25)23-18-17-20-27-23/h17-18,20H,2-16,19,21H2,1H3.
What are the key properties of [2-(furan-2-yl)-2-oxoethyl] octadecanoate?
[2-(furan-2-yl)-2-oxoethyl] octadecanoate has a molecular weight of 392.58 g/mol, XLogP of 7.27, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-2-oxoethyl] octadecanoate is sourced from PubChem (CID 126696522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).