(2R)-4-decyl-3-hydroxy-2-methyl-2H-furan-5-one

C15H26O3 — CID 162963969

IUPAC(2R)-4-decyl-3-hydroxy-2-methyl-2H-furan-5-one
SMILESCCCCCCCCCCC1=C(O)[C@@H](C)OC1=O
InChIInChI=1S/C15H26O3/c1-3-4-5-6-7-8-9-10-11-13-14(16)12(2)18-15(13)17/h12,16H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyIQOUMOYDTBQVJI-GFCCVEGCSA-N
MW254.37 g/mol
LogP4.27
Rot. Bonds9

About (2R)-4-decyl-3-hydroxy-2-methyl-2H-furan-5-one

(2R)-4-decyl-3-hydroxy-2-methyl-2H-furan-5-one (PubChem CID 162963969) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2R)-4-decyl-3-hydroxy-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-decyl-3-hydroxy-2-methyl-2H-furan-5-one
PubChem CID162963969
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(2R)-4-decyl-3-hydroxy-2-methyl-2H-furan-5-one
SMILESCCCCCCCCCCC1=C(O)[C@@H](C)OC1=O
InChIInChI=1S/C15H26O3/c1-3-4-5-6-7-8-9-10-11-13-14(16)12(2)18-15(13)17/h12,16H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyIQOUMOYDTBQVJI-GFCCVEGCSA-N
XLogP4.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-decyl-3-hydroxy-2-methyl-2H-furan-5-one?
The IUPAC name of (2R)-4-decyl-3-hydroxy-2-methyl-2H-furan-5-one (CID 162963969) is (2R)-4-decyl-3-hydroxy-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2R)-4-decyl-3-hydroxy-2-methyl-2H-furan-5-one?
The canonical SMILES for (2R)-4-decyl-3-hydroxy-2-methyl-2H-furan-5-one is CCCCCCCCCCC1=C(O)[C@@H](C)OC1=O.
What is the InChIKey of (2R)-4-decyl-3-hydroxy-2-methyl-2H-furan-5-one?
The InChIKey is IQOUMOYDTBQVJI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-4-5-6-7-8-9-10-11-13-14(16)12(2)18-15(13)17/h12,16H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-4-decyl-3-hydroxy-2-methyl-2H-furan-5-one?
(2R)-4-decyl-3-hydroxy-2-methyl-2H-furan-5-one has a molecular weight of 254.37 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-decyl-3-hydroxy-2-methyl-2H-furan-5-one is sourced from PubChem (CID 162963969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).