(2R)-2-ethyl-6-methyl-2,3-dihydropyran-4-one

C8H12O2 — CID 10942522

IUPAC(2R)-2-ethyl-6-methyl-2,3-dihydropyran-4-one
SMILESCC[C@@H]1CC(=O)C=C(C)O1
InChIInChI=1S/C8H12O2/c1-3-8-5-7(9)4-6(2)10-8/h4,8H,3,5H2,1-2H3/t8-/m1/s1
InChIKeyKLZXRAVGUVHREK-MRVPVSSYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds1

About (2R)-2-ethyl-6-methyl-2,3-dihydropyran-4-one

(2R)-2-ethyl-6-methyl-2,3-dihydropyran-4-one (PubChem CID 10942522) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2R)-2-ethyl-6-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name(2R)-2-ethyl-6-methyl-2,3-dihydropyran-4-one
PubChem CID10942522
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2R)-2-ethyl-6-methyl-2,3-dihydropyran-4-one
SMILESCC[C@@H]1CC(=O)C=C(C)O1
InChIInChI=1S/C8H12O2/c1-3-8-5-7(9)4-6(2)10-8/h4,8H,3,5H2,1-2H3/t8-/m1/s1
InChIKeyKLZXRAVGUVHREK-MRVPVSSYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-6-methyl-2,3-dihydropyran-4-one?
The IUPAC name of (2R)-2-ethyl-6-methyl-2,3-dihydropyran-4-one (CID 10942522) is (2R)-2-ethyl-6-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for (2R)-2-ethyl-6-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for (2R)-2-ethyl-6-methyl-2,3-dihydropyran-4-one is CC[C@@H]1CC(=O)C=C(C)O1.
What is the InChIKey of (2R)-2-ethyl-6-methyl-2,3-dihydropyran-4-one?
The InChIKey is KLZXRAVGUVHREK-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-8-5-7(9)4-6(2)10-8/h4,8H,3,5H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-2-ethyl-6-methyl-2,3-dihydropyran-4-one?
(2R)-2-ethyl-6-methyl-2,3-dihydropyran-4-one has a molecular weight of 140.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-6-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 10942522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).