6-but-2-en-2-yl-4-methoxypyran-2-one

C10H12O3 — CID 72739884

IUPAC6-but-2-en-2-yl-4-methoxypyran-2-one
SMILESCC=C(C)c1cc(OC)cc(=O)o1
InChIInChI=1S/C10H12O3/c1-4-7(2)9-5-8(12-3)6-10(11)13-9/h4-6H,1-3H3
InChIKeyHOXZLCMLRLXRIN-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.07
Rot. Bonds2

About 6-but-2-en-2-yl-4-methoxypyran-2-one

6-but-2-en-2-yl-4-methoxypyran-2-one (PubChem CID 72739884) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 6-but-2-en-2-yl-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-but-2-en-2-yl-4-methoxypyran-2-one
PubChem CID72739884
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name6-but-2-en-2-yl-4-methoxypyran-2-one
SMILESCC=C(C)c1cc(OC)cc(=O)o1
InChIInChI=1S/C10H12O3/c1-4-7(2)9-5-8(12-3)6-10(11)13-9/h4-6H,1-3H3
InChIKeyHOXZLCMLRLXRIN-UHFFFAOYSA-N
XLogP2.07
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Mesitene lactone
CID 12662
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
Fumigermin
CID 54717357
Placidene C
CID 11481458
Nigerapyrone D
CID 53483953
Nigerapyrone E
CID 53483954
Nigerapyrone C
CID 53493728
4-Methyl-6-(2-methylprop-1-en-1-yl)-2H-pyran-2-one
CID 13480869
6-Acetyl-3-methylpyran-2-one
CID 10080571

Frequently Asked Questions

What is the IUPAC name of 6-but-2-en-2-yl-4-methoxypyran-2-one?
The IUPAC name of 6-but-2-en-2-yl-4-methoxypyran-2-one (CID 72739884) is 6-but-2-en-2-yl-4-methoxypyran-2-one.
What is the SMILES notation for 6-but-2-en-2-yl-4-methoxypyran-2-one?
The canonical SMILES for 6-but-2-en-2-yl-4-methoxypyran-2-one is CC=C(C)c1cc(OC)cc(=O)o1.
What is the InChIKey of 6-but-2-en-2-yl-4-methoxypyran-2-one?
The InChIKey is HOXZLCMLRLXRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-4-7(2)9-5-8(12-3)6-10(11)13-9/h4-6H,1-3H3.
What are the key properties of 6-but-2-en-2-yl-4-methoxypyran-2-one?
6-but-2-en-2-yl-4-methoxypyran-2-one has a molecular weight of 180.20 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-en-2-yl-4-methoxypyran-2-one is sourced from PubChem (CID 72739884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).