2,3,5,6-tetramethylpyran-4-one

C9H12O2 — CID 11804961

IUPAC2,3,5,6-tetramethylpyran-4-one
SMILESCc1oc(C)c(C)c(=O)c1C
InChIInChI=1S/C9H12O2/c1-5-7(3)11-8(4)6(2)9(5)10/h1-4H3
InChIKeyRMBZCEQCJKMJLB-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.87
Rot. Bonds

About 2,3,5,6-tetramethylpyran-4-one

2,3,5,6-tetramethylpyran-4-one (PubChem CID 11804961) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2,3,5,6-tetramethylpyran-4-one.

Molecular Properties

Compound Name2,3,5,6-tetramethylpyran-4-one
PubChem CID11804961
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2,3,5,6-tetramethylpyran-4-one
SMILESCc1oc(C)c(C)c(=O)c1C
InChIInChI=1S/C9H12O2/c1-5-7(3)11-8(4)6(2)9(5)10/h1-4H3
InChIKeyRMBZCEQCJKMJLB-UHFFFAOYSA-N
XLogP1.87
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Duroquinone
CID 68238
(+)-Penicilliode C
CID 146682837
(-)-Isopenicilliode C
CID 146682838
4H-Pyran-4-one, 2-methoxy-3,5,6-trimethyl-
CID 11845201
2,3,6-trimethyl-4H-pyran-4-one
CID 13348271
4H-Pyran-4-one, 3-acetyl-2,6-dimethyl-
CID 549211
2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one
CID 601730
2,3,5-Trimethylpyran-4-one
CID 15055118
2-Ethyl-6-methoxy-3,5-dimethylpyran-4-one
CID 11816237
2,3,5-Trimethyl-6-(3-oxobutan-2-yl)-4h-pyran-4-one
CID 101788776
2-Ethyl-3,5-dimethyl-6-propan-2-ylpyran-4-one
CID 102383326
[(E)-3-methyl-4-oxopent-2-en-2-yl] acetate
CID 5354380

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethylpyran-4-one?
The IUPAC name of 2,3,5,6-tetramethylpyran-4-one (CID 11804961) is 2,3,5,6-tetramethylpyran-4-one.
What is the SMILES notation for 2,3,5,6-tetramethylpyran-4-one?
The canonical SMILES for 2,3,5,6-tetramethylpyran-4-one is Cc1oc(C)c(C)c(=O)c1C.
What is the InChIKey of 2,3,5,6-tetramethylpyran-4-one?
The InChIKey is RMBZCEQCJKMJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-5-7(3)11-8(4)6(2)9(5)10/h1-4H3.
What are the key properties of 2,3,5,6-tetramethylpyran-4-one?
2,3,5,6-tetramethylpyran-4-one has a molecular weight of 152.19 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethylpyran-4-one is sourced from PubChem (CID 11804961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).