(2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one

C13H22O3 — CID 134969855

IUPAC(2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one
SMILESCC1=C(C)C(=O)C[C@H]([C@H](C)[C@H](O)C(C)C)O1
InChIInChI=1S/C13H22O3/c1-7(2)13(15)9(4)12-6-11(14)8(3)10(5)16-12/h7,9,12-13,15H,6H2,1-5H3/t9-,12+,13+/m0/s1
InChIKeyDKGVVMXYTUFZCW-ZWKOPEQDSA-N
MW226.32 g/mol
LogP2.29
Rot. Bonds3

About (2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one

(2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one (PubChem CID 134969855) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one
PubChem CID134969855
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name(2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one
SMILESCC1=C(C)C(=O)C[C@H]([C@H](C)[C@H](O)C(C)C)O1
InChIInChI=1S/C13H22O3/c1-7(2)13(15)9(4)12-6-11(14)8(3)10(5)16-12/h7,9,12-13,15H,6H2,1-5H3/t9-,12+,13+/m0/s1
InChIKeyDKGVVMXYTUFZCW-ZWKOPEQDSA-N
XLogP2.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one with MolForge

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Related Compounds

Membrenone B
CID 45028040
Membrenone A
CID 45028039
(-)-membrenone B
CID 11772560
(+)-Membrenone C
CID 11500929
[(2R,3R,4R)-2-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]-4-methyl-5-oxoheptan-3-yl] (2R)-2-methylbutanoate
CID 162921871
[(2R,3R,4R)-2-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]-4-methyl-5-oxoheptan-3-yl] propanoate
CID 163035579
Maurenone
CID 11529119
1-Butanone, 3-hydroxy-1-(4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-
CID 147918
(-)-Membrenone C
CID 11484425
(2s,3r)-2,3-Dihydro-3,5-dimethyl-2-ethyl-6-(1-methyl-2-hydroxybutyl)-4h-pyran-4-one
CID 13116584
(2R,4R,5S,6S,10S,11S,12S)-2-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-5,11-dihydroxy-4,6,8,10,12-pentamethylpentadecane-3,7,9,13-tetrone
CID 46703434
6-(3-Hydroxy-4-methylpent-4-enyl)-3-methoxycyclohex-2-en-1-one
CID 53392288

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one?
The IUPAC name of (2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one (CID 134969855) is (2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one is CC1=C(C)C(=O)C[C@H]([C@H](C)[C@H](O)C(C)C)O1.
What is the InChIKey of (2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one?
The InChIKey is DKGVVMXYTUFZCW-ZWKOPEQDSA-N. The full InChI is InChI=1S/C13H22O3/c1-7(2)13(15)9(4)12-6-11(14)8(3)10(5)16-12/h7,9,12-13,15H,6H2,1-5H3/t9-,12+,13+/m0/s1.
What are the key properties of (2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one?
(2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one has a molecular weight of 226.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 134969855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).