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

C8H12O3 — CID 54719520

IUPAC(2R)-3-hydroxy-4-methyl-2-propyl-2H-furan-5-one
SMILESCCC[C@H]1OC(=O)C(C)=C1O
InChIInChI=1S/C8H12O3/c1-3-4-6-7(9)5(2)8(10)11-6/h6,9H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyLFTYCKYAYAMJKH-ZCFIWIBFSA-N
MW156.18 g/mol
LogP1.54
Rot. Bonds2

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

(2R)-3-hydroxy-4-methyl-2-propyl-2H-furan-5-one (PubChem CID 54719520) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (2R)-3-hydroxy-4-methyl-2-propyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3-hydroxy-4-methyl-2-propyl-2H-furan-5-one
PubChem CID54719520
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(2R)-3-hydroxy-4-methyl-2-propyl-2H-furan-5-one
SMILESCCC[C@H]1OC(=O)C(C)=C1O
InChIInChI=1S/C8H12O3/c1-3-4-6-7(9)5(2)8(10)11-6/h6,9H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyLFTYCKYAYAMJKH-ZCFIWIBFSA-N
XLogP1.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-4-methyl-2-propyl-2H-furan-5-one?
The IUPAC name of (2R)-3-hydroxy-4-methyl-2-propyl-2H-furan-5-one (CID 54719520) is (2R)-3-hydroxy-4-methyl-2-propyl-2H-furan-5-one.
What is the SMILES notation for (2R)-3-hydroxy-4-methyl-2-propyl-2H-furan-5-one?
The canonical SMILES for (2R)-3-hydroxy-4-methyl-2-propyl-2H-furan-5-one is CCC[C@H]1OC(=O)C(C)=C1O.
What is the InChIKey of (2R)-3-hydroxy-4-methyl-2-propyl-2H-furan-5-one?
The InChIKey is LFTYCKYAYAMJKH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-4-6-7(9)5(2)8(10)11-6/h6,9H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-3-hydroxy-4-methyl-2-propyl-2H-furan-5-one?
(2R)-3-hydroxy-4-methyl-2-propyl-2H-furan-5-one has a molecular weight of 156.18 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-4-methyl-2-propyl-2H-furan-5-one is sourced from PubChem (CID 54719520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).