5-hexyl-5-hydroxy-4-methoxyfuran-2-one

C11H18O4 — CID 11435840

IUPAC5-hexyl-5-hydroxy-4-methoxyfuran-2-one
SMILESCCCCCCC1(O)OC(=O)C=C1OC
InChIInChI=1S/C11H18O4/c1-3-4-5-6-7-11(13)9(14-2)8-10(12)15-11/h8,13H,3-7H2,1-2H3
InChIKeyLUJOQUGNHHZFDZ-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.73
Rot. Bonds6

About 5-hexyl-5-hydroxy-4-methoxyfuran-2-one

5-hexyl-5-hydroxy-4-methoxyfuran-2-one (PubChem CID 11435840) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-hexyl-5-hydroxy-4-methoxyfuran-2-one.

Molecular Properties

Compound Name5-hexyl-5-hydroxy-4-methoxyfuran-2-one
PubChem CID11435840
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name5-hexyl-5-hydroxy-4-methoxyfuran-2-one
SMILESCCCCCCC1(O)OC(=O)C=C1OC
InChIInChI=1S/C11H18O4/c1-3-4-5-6-7-11(13)9(14-2)8-10(12)15-11/h8,13H,3-7H2,1-2H3
InChIKeyLUJOQUGNHHZFDZ-UHFFFAOYSA-N
XLogP1.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-hydroxy-3,3,5,5-tetra(nonyl)-1-octylpiperazine-2,6-dione
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5-dodecyl-5-hydroxy-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 101170696
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Frequently Asked Questions

What is the IUPAC name of 5-hexyl-5-hydroxy-4-methoxyfuran-2-one?
The IUPAC name of 5-hexyl-5-hydroxy-4-methoxyfuran-2-one (CID 11435840) is 5-hexyl-5-hydroxy-4-methoxyfuran-2-one.
What is the SMILES notation for 5-hexyl-5-hydroxy-4-methoxyfuran-2-one?
The canonical SMILES for 5-hexyl-5-hydroxy-4-methoxyfuran-2-one is CCCCCCC1(O)OC(=O)C=C1OC.
What is the InChIKey of 5-hexyl-5-hydroxy-4-methoxyfuran-2-one?
The InChIKey is LUJOQUGNHHZFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-4-5-6-7-11(13)9(14-2)8-10(12)15-11/h8,13H,3-7H2,1-2H3.
What are the key properties of 5-hexyl-5-hydroxy-4-methoxyfuran-2-one?
5-hexyl-5-hydroxy-4-methoxyfuran-2-one has a molecular weight of 214.26 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-5-hydroxy-4-methoxyfuran-2-one is sourced from PubChem (CID 11435840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).