(2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one

C11H18O2 — CID 5324820

IUPAC(2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one
SMILESCC1=CC(=O)C[C@](C)(C(C)(C)C)O1
InChIInChI=1S/C11H18O2/c1-8-6-9(12)7-11(5,13-8)10(2,3)4/h6H,7H2,1-5H3/t11-/m1/s1
InChIKeyUQRIPPKHEFWKDK-LLVKDONJSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds

About (2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one

(2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one (PubChem CID 5324820) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one.

Molecular Properties

Compound Name(2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one
PubChem CID5324820
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one
SMILESCC1=CC(=O)C[C@](C)(C(C)(C)C)O1
InChIInChI=1S/C11H18O2/c1-8-6-9(12)7-11(5,13-8)10(2,3)4/h6H,7H2,1-5H3/t11-/m1/s1
InChIKeyUQRIPPKHEFWKDK-LLVKDONJSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one?
The IUPAC name of (2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one (CID 5324820) is (2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one.
What is the SMILES notation for (2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one?
The canonical SMILES for (2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one is CC1=CC(=O)C[C@](C)(C(C)(C)C)O1.
What is the InChIKey of (2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one?
The InChIKey is UQRIPPKHEFWKDK-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-6-9(12)7-11(5,13-8)10(2,3)4/h6H,7H2,1-5H3/t11-/m1/s1.
What are the key properties of (2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one?
(2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one has a molecular weight of 182.26 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one is sourced from PubChem (CID 5324820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).