(5-ethyl-2-methyl-4-oxofuran-3-yl) decanoate

C17H28O4 — CID 21465716

IUPAC(5-ethyl-2-methyl-4-oxofuran-3-yl) decanoate
SMILESCCCCCCCCCC(=O)OC1=C(C)OC(CC)C1=O
InChIInChI=1S/C17H28O4/c1-4-6-7-8-9-10-11-12-15(18)21-17-13(3)20-14(5-2)16(17)19/h14H,4-12H2,1-3H3
InChIKeyVNSMZNQZONORAV-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.28
Rot. Bonds10

About (5-ethyl-2-methyl-4-oxofuran-3-yl) decanoate

(5-ethyl-2-methyl-4-oxofuran-3-yl) decanoate (PubChem CID 21465716) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is (5-ethyl-2-methyl-4-oxofuran-3-yl) decanoate.

Molecular Properties

Compound Name(5-ethyl-2-methyl-4-oxofuran-3-yl) decanoate
PubChem CID21465716
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name(5-ethyl-2-methyl-4-oxofuran-3-yl) decanoate
SMILESCCCCCCCCCC(=O)OC1=C(C)OC(CC)C1=O
InChIInChI=1S/C17H28O4/c1-4-6-7-8-9-10-11-12-15(18)21-17-13(3)20-14(5-2)16(17)19/h14H,4-12H2,1-3H3
InChIKeyVNSMZNQZONORAV-UHFFFAOYSA-N
XLogP4.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-ethyl-2-methyl-4-oxofuran-3-yl) hexadecanoate
CID 21465750
(5-dodecanoyloxy-6-methyl-4-oxo-2,3-dihydropyran-3-yl) dodecanoate
CID 152713052
4-ethoxy-2-ethyl-5-methylfuran-3-one
CID 21465668
[(2S)-2-(4-hexadecanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] hexadecanoate
CID 54675977
(2,5-dimethyl-4-nonanoyloxyfuran-3-yl) nonanoate
CID 139797741
[(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate
CID 67505930
[2-(5-oxo-4-tetradecanoyloxy-3-tridecanoyloxy-2H-furan-2-yl)-2-tetradecanoyloxyethyl] tetradecanoate
CID 11423249
[2-(1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2H-furan-3-yl] octadecanoate
CID 10094900
[(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-octanoyloxy-5-oxo-2H-furan-3-yl] octanoate
CID 102280897
heptadecanoyl heptadecaneperoxoate
CID 53438513
heptanoyl octaneperoxoate
CID 142686679
octanoyl tridecaneperoxoate
CID 141014591

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methyl-4-oxofuran-3-yl) decanoate?
The IUPAC name of (5-ethyl-2-methyl-4-oxofuran-3-yl) decanoate (CID 21465716) is (5-ethyl-2-methyl-4-oxofuran-3-yl) decanoate.
What is the SMILES notation for (5-ethyl-2-methyl-4-oxofuran-3-yl) decanoate?
The canonical SMILES for (5-ethyl-2-methyl-4-oxofuran-3-yl) decanoate is CCCCCCCCCC(=O)OC1=C(C)OC(CC)C1=O.
What is the InChIKey of (5-ethyl-2-methyl-4-oxofuran-3-yl) decanoate?
The InChIKey is VNSMZNQZONORAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-4-6-7-8-9-10-11-12-15(18)21-17-13(3)20-14(5-2)16(17)19/h14H,4-12H2,1-3H3.
What are the key properties of (5-ethyl-2-methyl-4-oxofuran-3-yl) decanoate?
(5-ethyl-2-methyl-4-oxofuran-3-yl) decanoate has a molecular weight of 296.41 g/mol, XLogP of 4.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methyl-4-oxofuran-3-yl) decanoate is sourced from PubChem (CID 21465716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).