(2R)-2-[(2S)-2-hydroxy-4-oxodecyl]-2,3-dihydropyran-6-one

C15H24O4 — CID 177438908

IUPAC(2R)-2-[(2S)-2-hydroxy-4-oxodecyl]-2,3-dihydropyran-6-one
SMILESCCCCCCC(=O)C[C@@H](O)C[C@H]1CC=CC(=O)O1
InChIInChI=1S/C15H24O4/c1-2-3-4-5-7-12(16)10-13(17)11-14-8-6-9-15(18)19-14/h6,9,13-14,17H,2-5,7-8,10-11H2,1H3/t13-,14-/m1/s1
InChIKeyMTJSHJVDXLQQAR-ZIAGYGMSSA-N
MW268.35 g/mol
LogP2.54
Rot. Bonds9

About (2R)-2-[(2S)-2-hydroxy-4-oxodecyl]-2,3-dihydropyran-6-one

(2R)-2-[(2S)-2-hydroxy-4-oxodecyl]-2,3-dihydropyran-6-one (PubChem CID 177438908) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-hydroxy-4-oxodecyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-hydroxy-4-oxodecyl]-2,3-dihydropyran-6-one
PubChem CID177438908
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(2R)-2-[(2S)-2-hydroxy-4-oxodecyl]-2,3-dihydropyran-6-one
SMILESCCCCCCC(=O)C[C@@H](O)C[C@H]1CC=CC(=O)O1
InChIInChI=1S/C15H24O4/c1-2-3-4-5-7-12(16)10-13(17)11-14-8-6-9-15(18)19-14/h6,9,13-14,17H,2-5,7-8,10-11H2,1H3/t13-,14-/m1/s1
InChIKeyMTJSHJVDXLQQAR-ZIAGYGMSSA-N
XLogP2.54
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.54
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

12(13)Ep-9-KODE
CID 5283007
9,10-Epoxy-13-oxo-11-octadecenoic acid
CID 5283017
(2S)-2-[(2R)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one
CID 118723278
Cladospolide D
CID 10966200
[(9R,10E,11aS)-3-(hydroxymethyl)-10-methyl-6-methylidene-2,7-dioxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] acetate
CID 13895746
(2S)-2-[(2R)-2-hydroxy-4-oxotridecyl]-2,3-dihydropyran-6-one
CID 118723276
(2S)-2-[(2S)-2-hydroxy-4-oxotridecyl]-2,3-dihydropyran-6-one
CID 118723277
(2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one
CID 118723279
Dendrodolide A
CID 71814615
(3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione
CID 10517031
Cladosporester C
CID 156581609
(2R)-2-(4-oxopentyl)-2,3-dihydropyran-6-one
CID 10559339

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-hydroxy-4-oxodecyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(2S)-2-hydroxy-4-oxodecyl]-2,3-dihydropyran-6-one (CID 177438908) is (2R)-2-[(2S)-2-hydroxy-4-oxodecyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(2S)-2-hydroxy-4-oxodecyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(2S)-2-hydroxy-4-oxodecyl]-2,3-dihydropyran-6-one is CCCCCCC(=O)C[C@@H](O)C[C@H]1CC=CC(=O)O1.
What is the InChIKey of (2R)-2-[(2S)-2-hydroxy-4-oxodecyl]-2,3-dihydropyran-6-one?
The InChIKey is MTJSHJVDXLQQAR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H24O4/c1-2-3-4-5-7-12(16)10-13(17)11-14-8-6-9-15(18)19-14/h6,9,13-14,17H,2-5,7-8,10-11H2,1H3/t13-,14-/m1/s1.
What are the key properties of (2R)-2-[(2S)-2-hydroxy-4-oxodecyl]-2,3-dihydropyran-6-one?
(2R)-2-[(2S)-2-hydroxy-4-oxodecyl]-2,3-dihydropyran-6-one has a molecular weight of 268.35 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-hydroxy-4-oxodecyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 177438908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).