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

C20H30O4 — CID 22832795

IUPAC6-ethyl-2-[1-[(2R,3R)-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(C)C(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?/m0/s1
InChIKeyXUSGTPVFBNKUFL-GKRGFDLMSA-N
MW334.46 g/mol
LogP4.20
Rot. Bonds4

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

6-ethyl-2-[1-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one (PubChem CID 22832795) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 6-ethyl-2-[1-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name6-ethyl-2-[1-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one
PubChem CID22832795
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name6-ethyl-2-[1-[(2R,3R)-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(C)C(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?/m0/s1
InChIKeyXUSGTPVFBNKUFL-GKRGFDLMSA-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 6-ethyl-2-[1-[(2R,3R)-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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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[1-[(2R,3R)-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 6-ethyl-2-[1-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one (CID 22832795) is 6-ethyl-2-[1-[(2R,3R)-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 6-ethyl-2-[1-[(2R,3R)-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 6-ethyl-2-[1-[(2R,3R)-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(C)C(C(C)[C@H]2OC(CC)=C(C)C(=O)[C@@H]2C)O1.
What is the InChIKey of 6-ethyl-2-[1-[(2R,3R)-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-GKRGFDLMSA-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?/m0/s1.
What are the key properties of 6-ethyl-2-[1-[(2R,3R)-6-ethyl-3,5-dimethyl-4-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5-dimethyl-2,3-dihydropyran-4-one?
6-ethyl-2-[1-[(2R,3R)-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 6-ethyl-2-[1-[(2R,3R)-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 22832795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).