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

C8H12O3 — CID 134895271

IUPAC(2R)-4-hydroxy-3-methyl-2-propan-2-yl-2H-furan-5-one
SMILESCC1=C(O)C(=O)O[C@@H]1C(C)C
InChIInChI=1S/C8H12O3/c1-4(2)7-5(3)6(9)8(10)11-7/h4,7,9H,1-3H3/t7-/m1/s1
InChIKeyFYYSNDDBCLFUGV-SSDOTTSWSA-N
MW156.18 g/mol
LogP1.40
Rot. Bonds1

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

(2R)-4-hydroxy-3-methyl-2-propan-2-yl-2H-furan-5-one (PubChem CID 134895271) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (2R)-4-hydroxy-3-methyl-2-propan-2-yl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-hydroxy-3-methyl-2-propan-2-yl-2H-furan-5-one
PubChem CID134895271
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(2R)-4-hydroxy-3-methyl-2-propan-2-yl-2H-furan-5-one
SMILESCC1=C(O)C(=O)O[C@@H]1C(C)C
InChIInChI=1S/C8H12O3/c1-4(2)7-5(3)6(9)8(10)11-7/h4,7,9H,1-3H3/t7-/m1/s1
InChIKeyFYYSNDDBCLFUGV-SSDOTTSWSA-N
XLogP1.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-3-methyl-2-propan-2-yl-2H-furan-5-one?
The IUPAC name of (2R)-4-hydroxy-3-methyl-2-propan-2-yl-2H-furan-5-one (CID 134895271) is (2R)-4-hydroxy-3-methyl-2-propan-2-yl-2H-furan-5-one.
What is the SMILES notation for (2R)-4-hydroxy-3-methyl-2-propan-2-yl-2H-furan-5-one?
The canonical SMILES for (2R)-4-hydroxy-3-methyl-2-propan-2-yl-2H-furan-5-one is CC1=C(O)C(=O)O[C@@H]1C(C)C.
What is the InChIKey of (2R)-4-hydroxy-3-methyl-2-propan-2-yl-2H-furan-5-one?
The InChIKey is FYYSNDDBCLFUGV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12O3/c1-4(2)7-5(3)6(9)8(10)11-7/h4,7,9H,1-3H3/t7-/m1/s1.
What are the key properties of (2R)-4-hydroxy-3-methyl-2-propan-2-yl-2H-furan-5-one?
(2R)-4-hydroxy-3-methyl-2-propan-2-yl-2H-furan-5-one has a molecular weight of 156.18 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-3-methyl-2-propan-2-yl-2H-furan-5-one is sourced from PubChem (CID 134895271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).