6-butylidene-5-ethylidene-4-methylpyran-2-one

C12H16O2 — CID 123623009

IUPAC6-butylidene-5-ethylidene-4-methylpyran-2-one
SMILESCC=c1c(C)cc(=O)oc1=CCCC
InChIInChI=1S/C12H16O2/c1-4-6-7-11-10(5-2)9(3)8-12(13)14-11/h5,7-8H,4,6H2,1-3H3
InChIKeyPBMXLJXEWZEQQK-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.33
Rot. Bonds2

About 6-butylidene-5-ethylidene-4-methylpyran-2-one

6-butylidene-5-ethylidene-4-methylpyran-2-one (PubChem CID 123623009) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 6-butylidene-5-ethylidene-4-methylpyran-2-one.

Molecular Properties

Compound Name6-butylidene-5-ethylidene-4-methylpyran-2-one
PubChem CID123623009
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name6-butylidene-5-ethylidene-4-methylpyran-2-one
SMILESCC=c1c(C)cc(=O)oc1=CCCC
InChIInChI=1S/C12H16O2/c1-4-6-7-11-10(5-2)9(3)8-12(13)14-11/h5,7-8H,4,6H2,1-3H3
InChIKeyPBMXLJXEWZEQQK-UHFFFAOYSA-N
XLogP1.33
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5319022
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
2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester
CID 170485
ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
CID 76918
Nectriapyrone
CID 5358550
(E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one
CID 5877292
Kava
CID 5281052
4-Hydroxy-6-methyl-3-(3-methylbut-2-enyl)pyran-2-one
CID 54679299
Placidene C
CID 11481458

Frequently Asked Questions

What is the IUPAC name of 6-butylidene-5-ethylidene-4-methylpyran-2-one?
The IUPAC name of 6-butylidene-5-ethylidene-4-methylpyran-2-one (CID 123623009) is 6-butylidene-5-ethylidene-4-methylpyran-2-one.
What is the SMILES notation for 6-butylidene-5-ethylidene-4-methylpyran-2-one?
The canonical SMILES for 6-butylidene-5-ethylidene-4-methylpyran-2-one is CC=c1c(C)cc(=O)oc1=CCCC.
What is the InChIKey of 6-butylidene-5-ethylidene-4-methylpyran-2-one?
The InChIKey is PBMXLJXEWZEQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-6-7-11-10(5-2)9(3)8-12(13)14-11/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 6-butylidene-5-ethylidene-4-methylpyran-2-one?
6-butylidene-5-ethylidene-4-methylpyran-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylidene-5-ethylidene-4-methylpyran-2-one is sourced from PubChem (CID 123623009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).