5-methylidene-2H-pyran-6-ol

C6H8O2 — CID 57221857

IUPAC5-methylidene-2H-pyran-6-ol
SMILESC=C1C=CCOC1O
InChIInChI=1S/C6H8O2/c1-5-3-2-4-8-6(5)7/h2-3,6-7H,1,4H2
InChIKeyQFLSAEJHTKABSW-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.45
Rot. Bonds

About 5-methylidene-2H-pyran-6-ol

5-methylidene-2H-pyran-6-ol (PubChem CID 57221857) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-methylidene-2H-pyran-6-ol.

Molecular Properties

Compound Name5-methylidene-2H-pyran-6-ol
PubChem CID57221857
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name5-methylidene-2H-pyran-6-ol
SMILESC=C1C=CCOC1O
InChIInChI=1S/C6H8O2/c1-5-3-2-4-8-6(5)7/h2-3,6-7H,1,4H2
InChIKeyQFLSAEJHTKABSW-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2H-pyran-6-ol?
The IUPAC name of 5-methylidene-2H-pyran-6-ol (CID 57221857) is 5-methylidene-2H-pyran-6-ol.
What is the SMILES notation for 5-methylidene-2H-pyran-6-ol?
The canonical SMILES for 5-methylidene-2H-pyran-6-ol is C=C1C=CCOC1O.
What is the InChIKey of 5-methylidene-2H-pyran-6-ol?
The InChIKey is QFLSAEJHTKABSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-5-3-2-4-8-6(5)7/h2-3,6-7H,1,4H2.
What are the key properties of 5-methylidene-2H-pyran-6-ol?
5-methylidene-2H-pyran-6-ol has a molecular weight of 112.13 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2H-pyran-6-ol is sourced from PubChem (CID 57221857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).