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

C8H12O2 — CID 135060212

IUPAC(4R)-4-ethyl-6-methyl-3,4-dihydropyran-2-one
SMILESCC[C@H]1C=C(C)OC(=O)C1
InChIInChI=1S/C8H12O2/c1-3-7-4-6(2)10-8(9)5-7/h4,7H,3,5H2,1-2H3/t7-/m0/s1
InChIKeyPSECZKYGMBFVCA-ZETCQYMHSA-N
MW140.18 g/mol
LogP1.86
Rot. Bonds1

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

(4R)-4-ethyl-6-methyl-3,4-dihydropyran-2-one (PubChem CID 135060212) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (4R)-4-ethyl-6-methyl-3,4-dihydropyran-2-one.

Molecular Properties

Compound Name(4R)-4-ethyl-6-methyl-3,4-dihydropyran-2-one
PubChem CID135060212
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(4R)-4-ethyl-6-methyl-3,4-dihydropyran-2-one
SMILESCC[C@H]1C=C(C)OC(=O)C1
InChIInChI=1S/C8H12O2/c1-3-7-4-6(2)10-8(9)5-7/h4,7H,3,5H2,1-2H3/t7-/m0/s1
InChIKeyPSECZKYGMBFVCA-ZETCQYMHSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-6-methyl-3,4-dihydropyran-2-one?
The IUPAC name of (4R)-4-ethyl-6-methyl-3,4-dihydropyran-2-one (CID 135060212) is (4R)-4-ethyl-6-methyl-3,4-dihydropyran-2-one.
What is the SMILES notation for (4R)-4-ethyl-6-methyl-3,4-dihydropyran-2-one?
The canonical SMILES for (4R)-4-ethyl-6-methyl-3,4-dihydropyran-2-one is CC[C@H]1C=C(C)OC(=O)C1.
What is the InChIKey of (4R)-4-ethyl-6-methyl-3,4-dihydropyran-2-one?
The InChIKey is PSECZKYGMBFVCA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-7-4-6(2)10-8(9)5-7/h4,7H,3,5H2,1-2H3/t7-/m0/s1.
What are the key properties of (4R)-4-ethyl-6-methyl-3,4-dihydropyran-2-one?
(4R)-4-ethyl-6-methyl-3,4-dihydropyran-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-6-methyl-3,4-dihydropyran-2-one is sourced from PubChem (CID 135060212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).