4-methylpyran-4-ol

C6H8O2 — CID 121334169

IUPAC4-methylpyran-4-ol
SMILESCC1(O)C=COC=C1
InChIInChI=1S/C6H8O2/c1-6(7)2-4-8-5-3-6/h2-5,7H,1H3
InChIKeyHSDYCZULIRJAFG-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.80
Rot. Bonds

About 4-methylpyran-4-ol

4-methylpyran-4-ol (PubChem CID 121334169) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 4-methylpyran-4-ol.

Molecular Properties

Compound Name4-methylpyran-4-ol
PubChem CID121334169
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name4-methylpyran-4-ol
SMILESCC1(O)C=COC=C1
InChIInChI=1S/C6H8O2/c1-6(7)2-4-8-5-3-6/h2-5,7H,1H3
InChIKeyHSDYCZULIRJAFG-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 4-methylpyran-4-ol?
The IUPAC name of 4-methylpyran-4-ol (CID 121334169) is 4-methylpyran-4-ol.
What is the SMILES notation for 4-methylpyran-4-ol?
The canonical SMILES for 4-methylpyran-4-ol is CC1(O)C=COC=C1.
What is the InChIKey of 4-methylpyran-4-ol?
The InChIKey is HSDYCZULIRJAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-6(7)2-4-8-5-3-6/h2-5,7H,1H3.
What are the key properties of 4-methylpyran-4-ol?
4-methylpyran-4-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 4-methylpyran-4-ol is sourced from PubChem (CID 121334169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).