6-methyl-2,3-dihydropyran-4-one

C6H8O2 — CID 637084

IUPAC6-methyl-2,3-dihydropyran-4-one
SMILESCC1=CC(=O)CCO1
InChIInChI=1S/C6H8O2/c1-5-4-6(7)2-3-8-5/h4H,2-3H2,1H3
InChIKeyOXQAUABVOFKUNR-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.88
Rot. Bonds

About 6-methyl-2,3-dihydropyran-4-one

6-methyl-2,3-dihydropyran-4-one (PubChem CID 637084) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 6-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name6-methyl-2,3-dihydropyran-4-one
PubChem CID637084
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name6-methyl-2,3-dihydropyran-4-one
SMILESCC1=CC(=O)CCO1
InChIInChI=1S/C6H8O2/c1-5-4-6(7)2-3-8-5/h4H,2-3H2,1H3
InChIKeyOXQAUABVOFKUNR-UHFFFAOYSA-N
XLogP0.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dihydropyran-4-one?
The IUPAC name of 6-methyl-2,3-dihydropyran-4-one (CID 637084) is 6-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 6-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for 6-methyl-2,3-dihydropyran-4-one is CC1=CC(=O)CCO1.
What is the InChIKey of 6-methyl-2,3-dihydropyran-4-one?
The InChIKey is OXQAUABVOFKUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-5-4-6(7)2-3-8-5/h4H,2-3H2,1H3.
What are the key properties of 6-methyl-2,3-dihydropyran-4-one?
6-methyl-2,3-dihydropyran-4-one has a molecular weight of 112.13 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 637084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).