2-methylpyran-2-ol

C6H8O2 — CID 91587211

IUPAC2-methylpyran-2-ol
SMILESCC1(O)C=CC=CO1
InChIInChI=1S/C6H8O2/c1-6(7)4-2-3-5-8-6/h2-5,7H,1H3
InChIKeyCBUOETMEKLEHFS-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.80
Rot. Bonds

About 2-methylpyran-2-ol

2-methylpyran-2-ol (PubChem CID 91587211) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-methylpyran-2-ol.

Molecular Properties

Compound Name2-methylpyran-2-ol
PubChem CID91587211
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name2-methylpyran-2-ol
SMILESCC1(O)C=CC=CO1
InChIInChI=1S/C6H8O2/c1-6(7)4-2-3-5-8-6/h2-5,7H,1H3
InChIKeyCBUOETMEKLEHFS-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

Analyze 2-methylpyran-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpyran-2-ol?
The IUPAC name of 2-methylpyran-2-ol (CID 91587211) is 2-methylpyran-2-ol.
What is the SMILES notation for 2-methylpyran-2-ol?
The canonical SMILES for 2-methylpyran-2-ol is CC1(O)C=CC=CO1.
What is the InChIKey of 2-methylpyran-2-ol?
The InChIKey is CBUOETMEKLEHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-6(7)4-2-3-5-8-6/h2-5,7H,1H3.
What are the key properties of 2-methylpyran-2-ol?
2-methylpyran-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 2-methylpyran-2-ol is sourced from PubChem (CID 91587211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).