2-butyl-2,6-dimethyl-3H-pyran-4-one

C11H18O2 — CID 13270905

IUPAC2-butyl-2,6-dimethyl-3H-pyran-4-one
SMILESCCCCC1(C)CC(=O)C=C(C)O1
InChIInChI=1S/C11H18O2/c1-4-5-6-11(3)8-10(12)7-9(2)13-11/h7H,4-6,8H2,1-3H3
InChIKeyQACRWZRBGLYGRQ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds3

About 2-butyl-2,6-dimethyl-3H-pyran-4-one

2-butyl-2,6-dimethyl-3H-pyran-4-one (PubChem CID 13270905) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-butyl-2,6-dimethyl-3H-pyran-4-one.

Molecular Properties

Compound Name2-butyl-2,6-dimethyl-3H-pyran-4-one
PubChem CID13270905
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-butyl-2,6-dimethyl-3H-pyran-4-one
SMILESCCCCC1(C)CC(=O)C=C(C)O1
InChIInChI=1S/C11H18O2/c1-4-5-6-11(3)8-10(12)7-9(2)13-11/h7H,4-6,8H2,1-3H3
InChIKeyQACRWZRBGLYGRQ-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclohexen-1-one, 4-butyl-3-methoxy-
CID 574101
2,6-Dimethyl-2-ethyl-2,3-dihydro-4-pyranone
CID 13270904
2-Methyl-1-oxaspiro[5.5]undec-2-en-4-one
CID 13270906
2,2-Dimethyl-6-butyl-2,3-dihydro-4-pyrone
CID 129808192
1-(6-Isopropyl-3,4-dihydro-2h-pyran-2-yl)-methylbutanone
CID 166611139
(2R)-2-tert-butyl-2,6-dimethyl-3H-pyran-4-one
CID 5324820
6-Methyl-3-[(2-methylpropan-2-yl)oxy]-6-(3-oxobutyl)cyclohex-2-en-1-one
CID 10777209
1-(6-Acetyl-2,5-dimethyl-3,4-dihydropyran-2-yl)propane-1,2-dione
CID 19431997
2-Butyl-1-oxaspiro[5.5]undec-2-en-4-one
CID 21111735
2,2-dimethyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[b]pyran-4-one
CID 70062259
1-(2,6,6-Trimethyloxan-2-yl)pent-3-en-2-one
CID 70562054
ethane;2,2,6-trimethyl-3H-pyran-4-one
CID 144197857

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2,6-dimethyl-3H-pyran-4-one?
The IUPAC name of 2-butyl-2,6-dimethyl-3H-pyran-4-one (CID 13270905) is 2-butyl-2,6-dimethyl-3H-pyran-4-one.
What is the SMILES notation for 2-butyl-2,6-dimethyl-3H-pyran-4-one?
The canonical SMILES for 2-butyl-2,6-dimethyl-3H-pyran-4-one is CCCCC1(C)CC(=O)C=C(C)O1.
What is the InChIKey of 2-butyl-2,6-dimethyl-3H-pyran-4-one?
The InChIKey is QACRWZRBGLYGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-5-6-11(3)8-10(12)7-9(2)13-11/h7H,4-6,8H2,1-3H3.
What are the key properties of 2-butyl-2,6-dimethyl-3H-pyran-4-one?
2-butyl-2,6-dimethyl-3H-pyran-4-one has a molecular weight of 182.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2,6-dimethyl-3H-pyran-4-one is sourced from PubChem (CID 13270905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).