(2R)-4-hydroxy-5-methyl-2-(3-methylbutyl)-2,3-dihydropyran-6-one

C11H18O3 — CID 156580407

IUPAC(2R)-4-hydroxy-5-methyl-2-(3-methylbutyl)-2,3-dihydropyran-6-one
SMILESCC1=C(O)C[C@@H](CCC(C)C)OC1=O
InChIInChI=1S/C11H18O3/c1-7(2)4-5-9-6-10(12)8(3)11(13)14-9/h7,9,12H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyLOUBODOSUOBYTK-SECBINFHSA-N
MW198.26 g/mol
LogP2.57
Rot. Bonds3

About (2R)-4-hydroxy-5-methyl-2-(3-methylbutyl)-2,3-dihydropyran-6-one

(2R)-4-hydroxy-5-methyl-2-(3-methylbutyl)-2,3-dihydropyran-6-one (PubChem CID 156580407) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (2R)-4-hydroxy-5-methyl-2-(3-methylbutyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-4-hydroxy-5-methyl-2-(3-methylbutyl)-2,3-dihydropyran-6-one
PubChem CID156580407
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(2R)-4-hydroxy-5-methyl-2-(3-methylbutyl)-2,3-dihydropyran-6-one
SMILESCC1=C(O)C[C@@H](CCC(C)C)OC1=O
InChIInChI=1S/C11H18O3/c1-7(2)4-5-9-6-10(12)8(3)11(13)14-9/h7,9,12H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyLOUBODOSUOBYTK-SECBINFHSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-5-methyl-2-(3-methylbutyl)-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-4-hydroxy-5-methyl-2-(3-methylbutyl)-2,3-dihydropyran-6-one (CID 156580407) is (2R)-4-hydroxy-5-methyl-2-(3-methylbutyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-4-hydroxy-5-methyl-2-(3-methylbutyl)-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-4-hydroxy-5-methyl-2-(3-methylbutyl)-2,3-dihydropyran-6-one is CC1=C(O)C[C@@H](CCC(C)C)OC1=O.
What is the InChIKey of (2R)-4-hydroxy-5-methyl-2-(3-methylbutyl)-2,3-dihydropyran-6-one?
The InChIKey is LOUBODOSUOBYTK-SECBINFHSA-N. The full InChI is InChI=1S/C11H18O3/c1-7(2)4-5-9-6-10(12)8(3)11(13)14-9/h7,9,12H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-4-hydroxy-5-methyl-2-(3-methylbutyl)-2,3-dihydropyran-6-one?
(2R)-4-hydroxy-5-methyl-2-(3-methylbutyl)-2,3-dihydropyran-6-one has a molecular weight of 198.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-5-methyl-2-(3-methylbutyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 156580407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).