ethane;4-hydroxy-6-methylpyran-2-one

C8H12O3 — CID 143817051

IUPACethane;4-hydroxy-6-methylpyran-2-one
SMILESCC.Cc1cc(O)cc(=O)o1
InChIInChI=1S/C6H6O3.C2H6/c1-4-2-5(7)3-6(8)9-4;1-2/h2-3,7H,1H3;1-2H3
InChIKeyFVOIPEXHBLFNNF-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.68
Rot. Bonds

About ethane;4-hydroxy-6-methylpyran-2-one

ethane;4-hydroxy-6-methylpyran-2-one (PubChem CID 143817051) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethane;4-hydroxy-6-methylpyran-2-one.

Molecular Properties

Compound Nameethane;4-hydroxy-6-methylpyran-2-one
PubChem CID143817051
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Nameethane;4-hydroxy-6-methylpyran-2-one
SMILESCC.Cc1cc(O)cc(=O)o1
InChIInChI=1S/C6H6O3.C2H6/c1-4-2-5(7)3-6(8)9-4;1-2/h2-3,7H,1H3;1-2H3
InChIKeyFVOIPEXHBLFNNF-UHFFFAOYSA-N
XLogP1.68
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-6-methylpyran-2-one?
The IUPAC name of ethane;4-hydroxy-6-methylpyran-2-one (CID 143817051) is ethane;4-hydroxy-6-methylpyran-2-one.
What is the SMILES notation for ethane;4-hydroxy-6-methylpyran-2-one?
The canonical SMILES for ethane;4-hydroxy-6-methylpyran-2-one is CC.Cc1cc(O)cc(=O)o1.
What is the InChIKey of ethane;4-hydroxy-6-methylpyran-2-one?
The InChIKey is FVOIPEXHBLFNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3.C2H6/c1-4-2-5(7)3-6(8)9-4;1-2/h2-3,7H,1H3;1-2H3.
What are the key properties of ethane;4-hydroxy-6-methylpyran-2-one?
ethane;4-hydroxy-6-methylpyran-2-one has a molecular weight of 156.18 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-6-methylpyran-2-one is sourced from PubChem (CID 143817051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).