(2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one

C10H16O3 — CID 102231797

IUPAC(2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one
SMILESCC1=CC(=O)[C@@](C)([C@H](C)CCO)O1
InChIInChI=1S/C10H16O3/c1-7(4-5-11)10(3)9(12)6-8(2)13-10/h6-7,11H,4-5H2,1-3H3/t7-,10-/m1/s1
InChIKeySRMHLYGSUAKWRL-GMSGAONNSA-N
MW184.23 g/mol
LogP1.27
Rot. Bonds3

About (2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one

(2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one (PubChem CID 102231797) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one.

Molecular Properties

Compound Name(2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one
PubChem CID102231797
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one
SMILESCC1=CC(=O)[C@@](C)([C@H](C)CCO)O1
InChIInChI=1S/C10H16O3/c1-7(4-5-11)10(3)9(12)6-8(2)13-10/h6-7,11H,4-5H2,1-3H3/t7-,10-/m1/s1
InChIKeySRMHLYGSUAKWRL-GMSGAONNSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one?
The IUPAC name of (2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one (CID 102231797) is (2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one.
What is the SMILES notation for (2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one?
The canonical SMILES for (2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one is CC1=CC(=O)[C@@](C)([C@H](C)CCO)O1.
What is the InChIKey of (2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one?
The InChIKey is SRMHLYGSUAKWRL-GMSGAONNSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(4-5-11)10(3)9(12)6-8(2)13-10/h6-7,11H,4-5H2,1-3H3/t7-,10-/m1/s1.
What are the key properties of (2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one?
(2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one has a molecular weight of 184.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-4-hydroxybutan-2-yl]-2,5-dimethylfuran-3-one is sourced from PubChem (CID 102231797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).