(2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one

C20H30O4 — CID 11484425

IUPAC(2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one
SMILESCCC1=C(C)C(=O)[C@@H](C)[C@@H](C(C)[C@@H]2OC(CC)=C(C)C(=O)[C@H]2C)O1
InChIInChI=1S/C20H30O4/c1-8-15-10(3)17(21)12(5)19(23-15)14(7)20-13(6)18(22)11(4)16(9-2)24-20/h12-14,19-20H,8-9H2,1-7H3/t12-,13-,14?,19-,20+/m1/s1
InChIKeyXUSGTPVFBNKUFL-YKTLPFESSA-N
MW334.46 g/mol
LogP4.20
Rot. Bonds4

About (2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one

(2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one (PubChem CID 11484425) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one
PubChem CID11484425
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name(2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one
SMILESCCC1=C(C)C(=O)[C@@H](C)[C@@H](C(C)[C@@H]2OC(CC)=C(C)C(=O)[C@H]2C)O1
InChIInChI=1S/C20H30O4/c1-8-15-10(3)17(21)12(5)19(23-15)14(7)20-13(6)18(22)11(4)16(9-2)24-20/h12-14,19-20H,8-9H2,1-7H3/t12-,13-,14?,19-,20+/m1/s1
InChIKeyXUSGTPVFBNKUFL-YKTLPFESSA-N
XLogP4.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one with MolForge

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Related Compounds

Membrenone B
CID 45028040
(+)-Membrenone C
CID 11500929
Membrenone A
CID 45028039
(-)-membrenone B
CID 11772560
[(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
2-(2-cyclohexyl-2-oxoethyl)-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 101224910
2-[(1S)-1-[(2R,3S)-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-6-ethyl-3,5-dimethylpyran-4-one
CID 134838368
(2R)-5,6-dimethyl-2-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-2,3-dihydropyran-4-one
CID 134969811
(2R)-2-[(2R,3R)-3-hydroxy-4-methylpentan-2-yl]-5,6-dimethyl-2,3-dihydropyran-4-one
CID 134969855
2-ethyl-6-[[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]methyl]-3,5-dimethylpyran-4-one
CID 135082344
2-[(1R)-1-[(2S,3S)-3,5-dimethyl-4-oxo-2-propan-2-yl-2,3-dihydropyran-6-yl]ethyl]-6-ethyl-3,5-dimethylpyran-4-one
CID 21671575

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one?
The IUPAC name of (2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one (CID 11484425) is (2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one is CCC1=C(C)C(=O)[C@@H](C)[C@@H](C(C)[C@@H]2OC(CC)=C(C)C(=O)[C@H]2C)O1.
What is the InChIKey of (2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one?
The InChIKey is XUSGTPVFBNKUFL-YKTLPFESSA-N. The full InChI is InChI=1S/C20H30O4/c1-8-15-10(3)17(21)12(5)19(23-15)14(7)20-13(6)18(22)11(4)16(9-2)24-20/h12-14,19-20H,8-9H2,1-7H3/t12-,13-,14?,19-,20+/m1/s1.
What are the key properties of (2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one?
(2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one has a molecular weight of 334.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-6-ethyl-2-[1-[(2S,3S)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 11484425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).