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

C12H20O3 — CID 139586187

IUPAC(2R)-4-hydroxy-5-methyl-2-(3-methylpentyl)-2,3-dihydropyran-6-one
SMILESCCC(C)CC[C@@H]1CC(O)=C(C)C(=O)O1
InChIInChI=1S/C12H20O3/c1-4-8(2)5-6-10-7-11(13)9(3)12(14)15-10/h8,10,13H,4-7H2,1-3H3/t8?,10-/m1/s1
InChIKeyOSWJYTAYRCLDMA-LHIURRSHSA-N
MW212.29 g/mol
LogP2.96
Rot. Bonds4

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

(2R)-4-hydroxy-5-methyl-2-(3-methylpentyl)-2,3-dihydropyran-6-one (PubChem CID 139586187) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2R)-4-hydroxy-5-methyl-2-(3-methylpentyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-4-hydroxy-5-methyl-2-(3-methylpentyl)-2,3-dihydropyran-6-one
PubChem CID139586187
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(2R)-4-hydroxy-5-methyl-2-(3-methylpentyl)-2,3-dihydropyran-6-one
SMILESCCC(C)CC[C@@H]1CC(O)=C(C)C(=O)O1
InChIInChI=1S/C12H20O3/c1-4-8(2)5-6-10-7-11(13)9(3)12(14)15-10/h8,10,13H,4-7H2,1-3H3/t8?,10-/m1/s1
InChIKeyOSWJYTAYRCLDMA-LHIURRSHSA-N
XLogP2.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pseudopyronine A
CID 54715089
(2S)-2-[(2S,4S,6S)-4,6-dimethylnonan-2-yl]-3,4-dimethyl-2H-furan-5-one
CID 11737209
4-Hydroxy-3-methyl-5-(5-methylheptyl)pyran-2-one
CID 145983895
Capensifuranone
CID 21673749
Alkyldihydropyrone B
CID 139583366
Alkyldihydropyrone D
CID 139587919
Alkyldihydropyrone A
CID 156580407
Sydowiones A
CID 170989871
4-Hydroxy-5-methyl-2-(4-methylpentyl)-2,3-dihydropyran-6-one
CID 122403122
2-hexyl-4-hydroxy-2-methyl-3H-pyran-6-one
CID 141989895
(2S)-5-hexyl-4-hydroxy-2-pentyl-2,3-dihydropyran-6-one
CID 163062327
3-methyl-5-(2,6-dimethylheptyl)-1,5-Pent-2-enolide
CID 573838

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-5-methyl-2-(3-methylpentyl)-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-4-hydroxy-5-methyl-2-(3-methylpentyl)-2,3-dihydropyran-6-one (CID 139586187) is (2R)-4-hydroxy-5-methyl-2-(3-methylpentyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-4-hydroxy-5-methyl-2-(3-methylpentyl)-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-4-hydroxy-5-methyl-2-(3-methylpentyl)-2,3-dihydropyran-6-one is CCC(C)CC[C@@H]1CC(O)=C(C)C(=O)O1.
What is the InChIKey of (2R)-4-hydroxy-5-methyl-2-(3-methylpentyl)-2,3-dihydropyran-6-one?
The InChIKey is OSWJYTAYRCLDMA-LHIURRSHSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-8(2)5-6-10-7-11(13)9(3)12(14)15-10/h8,10,13H,4-7H2,1-3H3/t8?,10-/m1/s1.
What are the key properties of (2R)-4-hydroxy-5-methyl-2-(3-methylpentyl)-2,3-dihydropyran-6-one?
(2R)-4-hydroxy-5-methyl-2-(3-methylpentyl)-2,3-dihydropyran-6-one has a molecular weight of 212.29 g/mol, XLogP of 2.96, 4 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-methylpentyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 139586187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).