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

C20H28O4 — CID 11045836

IUPAC2-ethyl-6-[(1S)-1-[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]ethyl]-3,5-dimethylpyran-4-one
SMILESCCc1oc([C@@H](C)C2=C(C)C(=O)[C@@H](C)[C@H](CC)O2)c(C)c(=O)c1C
InChIInChI=1S/C20H28O4/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/h10,14-15H,8-9H2,1-7H3/t10-,14-,15-/m0/s1
InChIKeyOEORVMFHSLFRIC-LKTVYLICSA-N
MW332.44 g/mol
LogP4.21
Rot. Bonds4

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

2-ethyl-6-[(1S)-1-[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]ethyl]-3,5-dimethylpyran-4-one (PubChem CID 11045836) has the molecular formula C20H28O4 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-ethyl-6-[(1S)-1-[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]ethyl]-3,5-dimethylpyran-4-one.

Molecular Properties

Compound Name2-ethyl-6-[(1S)-1-[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]ethyl]-3,5-dimethylpyran-4-one
PubChem CID11045836
Molecular FormulaC20H28O4
Molecular Weight332.44 g/mol
Exact Mass332.20
IUPAC Name2-ethyl-6-[(1S)-1-[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]ethyl]-3,5-dimethylpyran-4-one
SMILESCCc1oc([C@@H](C)C2=C(C)C(=O)[C@@H](C)[C@H](CC)O2)c(C)c(=O)c1C
InChIInChI=1S/C20H28O4/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/h10,14-15H,8-9H2,1-7H3/t10-,14-,15-/m0/s1
InChIKeyOEORVMFHSLFRIC-LKTVYLICSA-N
XLogP4.21
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(1S)-1-[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]ethyl]-3,5-dimethylpyran-4-one?
The IUPAC name of 2-ethyl-6-[(1S)-1-[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]ethyl]-3,5-dimethylpyran-4-one (CID 11045836) is 2-ethyl-6-[(1S)-1-[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]ethyl]-3,5-dimethylpyran-4-one.
What is the SMILES notation for 2-ethyl-6-[(1S)-1-[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]ethyl]-3,5-dimethylpyran-4-one?
The canonical SMILES for 2-ethyl-6-[(1S)-1-[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]ethyl]-3,5-dimethylpyran-4-one is CCc1oc([C@@H](C)C2=C(C)C(=O)[C@@H](C)[C@H](CC)O2)c(C)c(=O)c1C.
What is the InChIKey of 2-ethyl-6-[(1S)-1-[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]ethyl]-3,5-dimethylpyran-4-one?
The InChIKey is OEORVMFHSLFRIC-LKTVYLICSA-N. The full InChI is InChI=1S/C20H28O4/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/h10,14-15H,8-9H2,1-7H3/t10-,14-,15-/m0/s1.
What are the key properties of 2-ethyl-6-[(1S)-1-[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]ethyl]-3,5-dimethylpyran-4-one?
2-ethyl-6-[(1S)-1-[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]ethyl]-3,5-dimethylpyran-4-one has a molecular weight of 332.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(1S)-1-[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]ethyl]-3,5-dimethylpyran-4-one is sourced from PubChem (CID 11045836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).