(2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one

C11H16O4 — CID 163099412

IUPAC(2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one
SMILESCCCCC(=O)C[C@@H]1OC(=O)C=C1OC
InChIInChI=1S/C11H16O4/c1-3-4-5-8(12)6-10-9(14-2)7-11(13)15-10/h7,10H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyNRXBYBVTYYOICP-JTQLQIEISA-N
MW212.24 g/mol
LogP1.59
Rot. Bonds6

About (2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one

(2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one (PubChem CID 163099412) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is (2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one
PubChem CID163099412
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name(2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one
SMILESCCCCC(=O)C[C@@H]1OC(=O)C=C1OC
InChIInChI=1S/C11H16O4/c1-3-4-5-8(12)6-10-9(14-2)7-11(13)15-10/h7,10H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyNRXBYBVTYYOICP-JTQLQIEISA-N
XLogP1.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Annularin H
CID 11423970
(2R)-3-methoxy-2-(2-oxobutyl)-2H-furan-5-one
CID 102055875
[(1S)-2-acetyloxy-3-[(E)-4-acetyloxydec-2-enyl]-4-oxocyclohex-2-en-1-yl] acetate
CID 139585552
3-methoxy-2-(2-oxobutyl)-2H-uran-5-one
CID 101474327
3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl 3-methylbut-2-enoate
CID 225871
3-methoxy-2-nonyl-2H-furan-5-one
CID 101474324
[(2R)-2-heptyl-5-oxo-2H-furan-3-yl] acetate
CID 102186229
3-methoxy-2-undecyl-2H-furan-5-one
CID 134857980
methyl 7-[(3R)-3-acetyloxy-5-oxocyclopenten-1-yl]heptanoate
CID 10588960
2-Allyl-4-propionyloxy-3-methyl-2-cyclopentenone
CID 13335395
Methyl 7-[3-(acetyloxy)-5-oxocyclopent-1-EN-1-YL]heptanoate
CID 14458235
methyl 7-[(3S)-3-acetyloxy-5-oxocyclopenten-1-yl]heptanoate
CID 14458236

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one?
The IUPAC name of (2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one (CID 163099412) is (2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one.
What is the SMILES notation for (2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one?
The canonical SMILES for (2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one is CCCCC(=O)C[C@@H]1OC(=O)C=C1OC.
What is the InChIKey of (2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one?
The InChIKey is NRXBYBVTYYOICP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16O4/c1-3-4-5-8(12)6-10-9(14-2)7-11(13)15-10/h7,10H,3-6H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one?
(2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one has a molecular weight of 212.24 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-2-(2-oxohexyl)-2H-furan-5-one is sourced from PubChem (CID 163099412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).