2-(methoxymethyl)-2-methyl-3H-pyran-4-one

C8H12O3 — CID 16749756

IUPAC2-(methoxymethyl)-2-methyl-3H-pyran-4-one
SMILESCOCC1(C)CC(=O)C=CO1
InChIInChI=1S/C8H12O3/c1-8(6-10-2)5-7(9)3-4-11-8/h3-4H,5-6H2,1-2H3
InChIKeyGBCDUDPANJYHKP-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.89
Rot. Bonds2

About 2-(methoxymethyl)-2-methyl-3H-pyran-4-one

2-(methoxymethyl)-2-methyl-3H-pyran-4-one (PubChem CID 16749756) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-(methoxymethyl)-2-methyl-3H-pyran-4-one.

Molecular Properties

Compound Name2-(methoxymethyl)-2-methyl-3H-pyran-4-one
PubChem CID16749756
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-(methoxymethyl)-2-methyl-3H-pyran-4-one
SMILESCOCC1(C)CC(=O)C=CO1
InChIInChI=1S/C8H12O3/c1-8(6-10-2)5-7(9)3-4-11-8/h3-4H,5-6H2,1-2H3
InChIKeyGBCDUDPANJYHKP-UHFFFAOYSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-2-methyl-3H-pyran-4-one?
The IUPAC name of 2-(methoxymethyl)-2-methyl-3H-pyran-4-one (CID 16749756) is 2-(methoxymethyl)-2-methyl-3H-pyran-4-one.
What is the SMILES notation for 2-(methoxymethyl)-2-methyl-3H-pyran-4-one?
The canonical SMILES for 2-(methoxymethyl)-2-methyl-3H-pyran-4-one is COCC1(C)CC(=O)C=CO1.
What is the InChIKey of 2-(methoxymethyl)-2-methyl-3H-pyran-4-one?
The InChIKey is GBCDUDPANJYHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-8(6-10-2)5-7(9)3-4-11-8/h3-4H,5-6H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-2-methyl-3H-pyran-4-one?
2-(methoxymethyl)-2-methyl-3H-pyran-4-one has a molecular weight of 156.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-2-methyl-3H-pyran-4-one is sourced from PubChem (CID 16749756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).