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

C19H26O4 — CID 135082344

IUPAC2-ethyl-6-[[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]methyl]-3,5-dimethylpyran-4-one
SMILESCCc1oc(CC2=C(C)C(=O)[C@@H](C)[C@H](CC)O2)c(C)c(=O)c1C
InChIInChI=1S/C19H26O4/c1-7-14-10(3)18(20)12(5)16(22-14)9-17-13(6)19(21)11(4)15(8-2)23-17/h10,14H,7-9H2,1-6H3/t10-,14-/m0/s1
InChIKeyDXVLDMZCPGAGSF-HZMBPMFUSA-N
MW318.41 g/mol
LogP3.65
Rot. Bonds4

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

2-ethyl-6-[[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]methyl]-3,5-dimethylpyran-4-one (PubChem CID 135082344) has the molecular formula C19H26O4 and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-ethyl-6-[[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]methyl]-3,5-dimethylpyran-4-one.

Molecular Properties

Compound Name2-ethyl-6-[[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]methyl]-3,5-dimethylpyran-4-one
PubChem CID135082344
Molecular FormulaC19H26O4
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Name2-ethyl-6-[[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]methyl]-3,5-dimethylpyran-4-one
SMILESCCc1oc(CC2=C(C)C(=O)[C@@H](C)[C@H](CC)O2)c(C)c(=O)c1C
InChIInChI=1S/C19H26O4/c1-7-14-10(3)18(20)12(5)16(22-14)9-17-13(6)19(21)11(4)15(8-2)23-17/h10,14H,7-9H2,1-6H3/t10-,14-/m0/s1
InChIKeyDXVLDMZCPGAGSF-HZMBPMFUSA-N
XLogP3.65
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]methyl]-3,5-dimethylpyran-4-one?
The IUPAC name of 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) is 2-ethyl-6-[[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]methyl]-3,5-dimethylpyran-4-one.
What is the SMILES notation for 2-ethyl-6-[[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]methyl]-3,5-dimethylpyran-4-one?
The canonical SMILES for 2-ethyl-6-[[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]methyl]-3,5-dimethylpyran-4-one is CCc1oc(CC2=C(C)C(=O)[C@@H](C)[C@H](CC)O2)c(C)c(=O)c1C.
What is the InChIKey of 2-ethyl-6-[[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]methyl]-3,5-dimethylpyran-4-one?
The InChIKey is DXVLDMZCPGAGSF-HZMBPMFUSA-N. The full InChI is InChI=1S/C19H26O4/c1-7-14-10(3)18(20)12(5)16(22-14)9-17-13(6)19(21)11(4)15(8-2)23-17/h10,14H,7-9H2,1-6H3/t10-,14-/m0/s1.
What are the key properties of 2-ethyl-6-[[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]methyl]-3,5-dimethylpyran-4-one?
2-ethyl-6-[[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]methyl]-3,5-dimethylpyran-4-one has a molecular weight of 318.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[[(2S,3S)-2-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-6-yl]methyl]-3,5-dimethylpyran-4-one is sourced from PubChem (CID 135082344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).