3-hexyl-5-methoxy-5-propan-2-ylfuran-2-one

C14H24O3 — CID 10900759

IUPAC3-hexyl-5-methoxy-5-propan-2-ylfuran-2-one
SMILESCCCCCCC1=CC(OC)(C(C)C)OC1=O
InChIInChI=1S/C14H24O3/c1-5-6-7-8-9-12-10-14(16-4,11(2)3)17-13(12)15/h10-11H,5-9H2,1-4H3
InChIKeyGUHPZHQJHDHXQO-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.44
Rot. Bonds7

About 3-hexyl-5-methoxy-5-propan-2-ylfuran-2-one

3-hexyl-5-methoxy-5-propan-2-ylfuran-2-one (PubChem CID 10900759) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 3-hexyl-5-methoxy-5-propan-2-ylfuran-2-one.

Molecular Properties

Compound Name3-hexyl-5-methoxy-5-propan-2-ylfuran-2-one
PubChem CID10900759
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name3-hexyl-5-methoxy-5-propan-2-ylfuran-2-one
SMILESCCCCCCC1=CC(OC)(C(C)C)OC1=O
InChIInChI=1S/C14H24O3/c1-5-6-7-8-9-12-10-14(16-4,11(2)3)17-13(12)15/h10-11H,5-9H2,1-4H3
InChIKeyGUHPZHQJHDHXQO-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Squamostanal A
CID 85308895
(2S)-4-dodec-11-enyl-2-methyl-2H-furan-5-one
CID 10801599
(2R)-4-hexadecyl-2-methyl-2H-furan-5-one
CID 10687323
3-Hexylfuran-2,5-dione
CID 15882442
(5S,S)-5-methyl-3-(5-methylheptyl)furan-2(5H)-one
CID 16089942
(5S,S)-5-methyl-3-(6-methyloctyl)furan-2(5H)-one
CID 16090230
(5S,S)-5-methyl-3-(7-methylnonyl)furan-2(5H)-one
CID 16090231
(5S,S)-5-methyl-3-(3-methylpentyl)furan-2(5H)-one
CID 16090236
(5S)-2,5-Dihydro-5-methyl-2-oxo-3-furantridecanal
CID 10902491
2,5-Furandione, dihydro-3-(isooctenyl)-
CID 119961
(5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one
CID 71453698
2-methyl-4-nonan-2-yl-2H-furan-5-one
CID 171356484

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-5-methoxy-5-propan-2-ylfuran-2-one?
The IUPAC name of 3-hexyl-5-methoxy-5-propan-2-ylfuran-2-one (CID 10900759) is 3-hexyl-5-methoxy-5-propan-2-ylfuran-2-one.
What is the SMILES notation for 3-hexyl-5-methoxy-5-propan-2-ylfuran-2-one?
The canonical SMILES for 3-hexyl-5-methoxy-5-propan-2-ylfuran-2-one is CCCCCCC1=CC(OC)(C(C)C)OC1=O.
What is the InChIKey of 3-hexyl-5-methoxy-5-propan-2-ylfuran-2-one?
The InChIKey is GUHPZHQJHDHXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-6-7-8-9-12-10-14(16-4,11(2)3)17-13(12)15/h10-11H,5-9H2,1-4H3.
What are the key properties of 3-hexyl-5-methoxy-5-propan-2-ylfuran-2-one?
3-hexyl-5-methoxy-5-propan-2-ylfuran-2-one has a molecular weight of 240.34 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-5-methoxy-5-propan-2-ylfuran-2-one is sourced from PubChem (CID 10900759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).