(5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2-one

C11H18O4 — CID 162858229

IUPAC(5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2-one
SMILESCCOC(CC)[C@]1(O)OC(=O)C(C)=C1C
InChIInChI=1S/C11H18O4/c1-5-9(14-6-2)11(13)8(4)7(3)10(12)15-11/h9,13H,5-6H2,1-4H3/t9?,11-/m1/s1
InChIKeyCNYBMRLYVPIVMO-HCCKASOXSA-N
MW214.26 g/mol
LogP1.38
Rot. Bonds4

About (5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2-one

(5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2-one (PubChem CID 162858229) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2-one.

Molecular Properties

Compound Name(5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2-one
PubChem CID162858229
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2-one
SMILESCCOC(CC)[C@]1(O)OC(=O)C(C)=C1C
InChIInChI=1S/C11H18O4/c1-5-9(14-6-2)11(13)8(4)7(3)10(12)15-11/h9,13H,5-6H2,1-4H3/t9?,11-/m1/s1
InChIKeyCNYBMRLYVPIVMO-HCCKASOXSA-N
XLogP1.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2-one?
The IUPAC name of (5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2-one (CID 162858229) is (5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2-one.
What is the SMILES notation for (5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2-one?
The canonical SMILES for (5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2-one is CCOC(CC)[C@]1(O)OC(=O)C(C)=C1C.
What is the InChIKey of (5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2-one?
The InChIKey is CNYBMRLYVPIVMO-HCCKASOXSA-N. The full InChI is InChI=1S/C11H18O4/c1-5-9(14-6-2)11(13)8(4)7(3)10(12)15-11/h9,13H,5-6H2,1-4H3/t9?,11-/m1/s1.
What are the key properties of (5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2-one?
(5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2-one has a molecular weight of 214.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2-one is sourced from PubChem (CID 162858229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).