6-[(2R)-butan-2-yl]-3-methylpyran-2-one

C10H14O2 — CID 132521548

IUPAC6-[(2R)-butan-2-yl]-3-methylpyran-2-one
SMILESCC[C@@H](C)c1ccc(C)c(=O)o1
InChIInChI=1S/C10H14O2/c1-4-7(2)9-6-5-8(3)10(11)12-9/h5-7H,4H2,1-3H3/t7-/m1/s1
InChIKeyMGLYOXCODWYDGM-SSDOTTSWSA-N
MW166.22 g/mol
LogP2.46
Rot. Bonds2

About 6-[(2R)-butan-2-yl]-3-methylpyran-2-one

6-[(2R)-butan-2-yl]-3-methylpyran-2-one (PubChem CID 132521548) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-[(2R)-butan-2-yl]-3-methylpyran-2-one.

Molecular Properties

Compound Name6-[(2R)-butan-2-yl]-3-methylpyran-2-one
PubChem CID132521548
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name6-[(2R)-butan-2-yl]-3-methylpyran-2-one
SMILESCC[C@@H](C)c1ccc(C)c(=O)o1
InChIInChI=1S/C10H14O2/c1-4-7(2)9-6-5-8(3)10(11)12-9/h5-7H,4H2,1-3H3/t7-/m1/s1
InChIKeyMGLYOXCODWYDGM-SSDOTTSWSA-N
XLogP2.46
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-butan-2-yl]-3-methylpyran-2-one?
The IUPAC name of 6-[(2R)-butan-2-yl]-3-methylpyran-2-one (CID 132521548) is 6-[(2R)-butan-2-yl]-3-methylpyran-2-one.
What is the SMILES notation for 6-[(2R)-butan-2-yl]-3-methylpyran-2-one?
The canonical SMILES for 6-[(2R)-butan-2-yl]-3-methylpyran-2-one is CC[C@@H](C)c1ccc(C)c(=O)o1.
What is the InChIKey of 6-[(2R)-butan-2-yl]-3-methylpyran-2-one?
The InChIKey is MGLYOXCODWYDGM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-7(2)9-6-5-8(3)10(11)12-9/h5-7H,4H2,1-3H3/t7-/m1/s1.
What are the key properties of 6-[(2R)-butan-2-yl]-3-methylpyran-2-one?
6-[(2R)-butan-2-yl]-3-methylpyran-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-butan-2-yl]-3-methylpyran-2-one is sourced from PubChem (CID 132521548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).