5-methyl-2H-pyran-2-ol

C6H8O2 — CID 149263411

IUPAC5-methyl-2H-pyran-2-ol
SMILESCC1=COC(O)C=C1
InChIInChI=1S/C6H8O2/c1-5-2-3-6(7)8-4-5/h2-4,6-7H,1H3
InChIKeyXPRGSQNECLIQEY-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.80
Rot. Bonds

About 5-methyl-2H-pyran-2-ol

5-methyl-2H-pyran-2-ol (PubChem CID 149263411) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-methyl-2H-pyran-2-ol.

Molecular Properties

Compound Name5-methyl-2H-pyran-2-ol
PubChem CID149263411
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name5-methyl-2H-pyran-2-ol
SMILESCC1=COC(O)C=C1
InChIInChI=1S/C6H8O2/c1-5-2-3-6(7)8-4-5/h2-4,6-7H,1H3
InChIKeyXPRGSQNECLIQEY-UHFFFAOYSA-N
XLogP0.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-pyran-2-ol?
The IUPAC name of 5-methyl-2H-pyran-2-ol (CID 149263411) is 5-methyl-2H-pyran-2-ol.
What is the SMILES notation for 5-methyl-2H-pyran-2-ol?
The canonical SMILES for 5-methyl-2H-pyran-2-ol is CC1=COC(O)C=C1.
What is the InChIKey of 5-methyl-2H-pyran-2-ol?
The InChIKey is XPRGSQNECLIQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-5-2-3-6(7)8-4-5/h2-4,6-7H,1H3.
What are the key properties of 5-methyl-2H-pyran-2-ol?
5-methyl-2H-pyran-2-ol has a molecular weight of 112.13 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-pyran-2-ol is sourced from PubChem (CID 149263411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).