(6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one

C10H14O3 — CID 15747722

IUPAC(6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one
SMILESCC(=O)C(C)C[C@H]1OCC=CC1=O
InChIInChI=1S/C10H14O3/c1-7(8(2)11)6-10-9(12)4-3-5-13-10/h3-4,7,10H,5-6H2,1-2H3/t7?,10-/m1/s1
InChIKeyXPRJSJOZQGSELE-OMNKOJBGSA-N
MW182.22 g/mol
LogP1.13
Rot. Bonds3

About (6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one

(6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one (PubChem CID 15747722) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one.

Molecular Properties

Compound Name(6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one
PubChem CID15747722
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one
SMILESCC(=O)C(C)C[C@H]1OCC=CC1=O
InChIInChI=1S/C10H14O3/c1-7(8(2)11)6-10-9(12)4-3-5-13-10/h3-4,7,10H,5-6H2,1-2H3/t7?,10-/m1/s1
InChIKeyXPRJSJOZQGSELE-OMNKOJBGSA-N
XLogP1.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one?
The IUPAC name of (6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one (CID 15747722) is (6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one.
What is the SMILES notation for (6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one?
The canonical SMILES for (6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one is CC(=O)C(C)C[C@H]1OCC=CC1=O.
What is the InChIKey of (6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one?
The InChIKey is XPRJSJOZQGSELE-OMNKOJBGSA-N. The full InChI is InChI=1S/C10H14O3/c1-7(8(2)11)6-10-9(12)4-3-5-13-10/h3-4,7,10H,5-6H2,1-2H3/t7?,10-/m1/s1.
What are the key properties of (6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one?
(6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one has a molecular weight of 182.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one is sourced from PubChem (CID 15747722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).