4-butyl-5-ethyl-6-methylpyran-2-one

C12H18O2 — CID 139840441

IUPAC4-butyl-5-ethyl-6-methylpyran-2-one
SMILESCCCCc1cc(=O)oc(C)c1CC
InChIInChI=1S/C12H18O2/c1-4-6-7-10-8-12(13)14-9(3)11(10)5-2/h8H,4-7H2,1-3H3
InChIKeyHCPUBZZMNHMKBD-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.85
Rot. Bonds4

About 4-butyl-5-ethyl-6-methylpyran-2-one

4-butyl-5-ethyl-6-methylpyran-2-one (PubChem CID 139840441) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-butyl-5-ethyl-6-methylpyran-2-one.

Molecular Properties

Compound Name4-butyl-5-ethyl-6-methylpyran-2-one
PubChem CID139840441
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-butyl-5-ethyl-6-methylpyran-2-one
SMILESCCCCc1cc(=O)oc(C)c1CC
InChIInChI=1S/C12H18O2/c1-4-6-7-10-8-12(13)14-9(3)11(10)5-2/h8H,4-7H2,1-3H3
InChIKeyHCPUBZZMNHMKBD-UHFFFAOYSA-N
XLogP2.85
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Mesitene lactone
CID 12662
3,4-Dimethyl-5-pentylidenefuran-2(5H)-one
CID 13051
Bovolide
CID 6433214
2H-Pyran-2-one, 4-methyl-6-(1-methylethyl)-
CID 162589
4-methyl-6-[8-(4-methyl-2-oxo-2H-pyran-6-yl)octyl]-2H-pyran-2-one
CID 1810986
Placidene C
CID 11481458
4-Methyl-6-(2-methylprop-1-en-1-yl)-2H-pyran-2-one
CID 13480869
2H-Pyran-2-one, 4-methyl-6-pentyl-
CID 11401122
4-Methyl-6-isobutyl-2-pyranone
CID 6429146
Ifhbfwlmlspism-fkjilziqsa-
CID 11368654
4-Ethyl-6-methylpyran-2-one
CID 13758628
6-Ethyl-4-methyl-2H-pyran-2-one
CID 13758629

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-ethyl-6-methylpyran-2-one?
The IUPAC name of 4-butyl-5-ethyl-6-methylpyran-2-one (CID 139840441) is 4-butyl-5-ethyl-6-methylpyran-2-one.
What is the SMILES notation for 4-butyl-5-ethyl-6-methylpyran-2-one?
The canonical SMILES for 4-butyl-5-ethyl-6-methylpyran-2-one is CCCCc1cc(=O)oc(C)c1CC.
What is the InChIKey of 4-butyl-5-ethyl-6-methylpyran-2-one?
The InChIKey is HCPUBZZMNHMKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-6-7-10-8-12(13)14-9(3)11(10)5-2/h8H,4-7H2,1-3H3.
What are the key properties of 4-butyl-5-ethyl-6-methylpyran-2-one?
4-butyl-5-ethyl-6-methylpyran-2-one has a molecular weight of 194.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-ethyl-6-methylpyran-2-one is sourced from PubChem (CID 139840441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).