3-tetradecylfuran-2,5-dione

C18H30O3 — CID 10565758

IUPAC3-tetradecylfuran-2,5-dione
SMILESCCCCCCCCCCCCCCC1=CC(=O)OC1=O
InChIInChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h15H,2-14H2,1H3
InChIKeyWPLVTAIGBCNROX-UHFFFAOYSA-N
MW294.43 g/mol
LogP5.09
Rot. Bonds13

About 3-tetradecylfuran-2,5-dione

3-tetradecylfuran-2,5-dione (PubChem CID 10565758) has the molecular formula C18H30O3 and a molecular weight of 294.43 g/mol. Its IUPAC name is 3-tetradecylfuran-2,5-dione.

Molecular Properties

Compound Name3-tetradecylfuran-2,5-dione
PubChem CID10565758
Molecular FormulaC18H30O3
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name3-tetradecylfuran-2,5-dione
SMILESCCCCCCCCCCCCCCC1=CC(=O)OC1=O
InChIInChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h15H,2-14H2,1H3
InChIKeyWPLVTAIGBCNROX-UHFFFAOYSA-N
XLogP5.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.43
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-hexylfuran-2,5-dione
CID 15882442
3-butylfuran-2,5-dione
CID 11030038
5-(dibromomethylidene)-4-heptylfuran-2-one
CID 10269415
5-(bromomethylidene)-4-heptylfuran-2-one
CID 69129545
4-hexyl-5-iminofuran-2-one
CID 174496846
benzyl 2-methylprop-2-enoate;3-tetradecylfuran-2,5-dione;tetradecyl 2-methylprop-2-enoate
CID 175214321
2,5-dipentylcyclohexa-2,5-diene-1,4-dione
CID 11149332
2,6-diheptylcyclohexa-2,5-diene-1,4-dione
CID 169217749
(2S)-4-hexadecyl-2-methyl-2H-furan-5-one
CID 14188599
(2R)-4-heptyl-2-methyl-2H-furan-5-one
CID 10774282
2-heptylcyclohexa-2,5-diene-1,4-dione
CID 154029427
3-pentadecylpyrrole-2,5-dione
CID 15598201

Frequently Asked Questions

What is the IUPAC name of 3-tetradecylfuran-2,5-dione?
The IUPAC name of 3-tetradecylfuran-2,5-dione (CID 10565758) is 3-tetradecylfuran-2,5-dione.
What is the SMILES notation for 3-tetradecylfuran-2,5-dione?
The canonical SMILES for 3-tetradecylfuran-2,5-dione is CCCCCCCCCCCCCCC1=CC(=O)OC1=O.
What is the InChIKey of 3-tetradecylfuran-2,5-dione?
The InChIKey is WPLVTAIGBCNROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h15H,2-14H2,1H3.
What are the key properties of 3-tetradecylfuran-2,5-dione?
3-tetradecylfuran-2,5-dione has a molecular weight of 294.43 g/mol, XLogP of 5.09, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tetradecylfuran-2,5-dione is sourced from PubChem (CID 10565758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).