3,4-dihydro-2H-pyran-4-ol

C5H8O2 — CID 551493

IUPAC3,4-dihydro-2H-pyran-4-ol
SMILESOC1C=COCC1
InChIInChI=1S/C5H8O2/c6-5-1-3-7-4-2-5/h1,3,5-6H,2,4H2
InChIKeyPCLXAWDEFUMLGQ-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.28
Rot. Bonds

About 3,4-dihydro-2H-pyran-4-ol

3,4-dihydro-2H-pyran-4-ol (PubChem CID 551493) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-4-ol
PubChem CID551493
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name3,4-dihydro-2H-pyran-4-ol
SMILESOC1C=COCC1
InChIInChI=1S/C5H8O2/c6-5-1-3-7-4-2-5/h1,3,5-6H,2,4H2
InChIKeyPCLXAWDEFUMLGQ-UHFFFAOYSA-N
XLogP0.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of 3,4-dihydro-2H-pyran-4-ol (CID 551493) is 3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for 3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for 3,4-dihydro-2H-pyran-4-ol is OC1C=COCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-4-ol?
The InChIKey is PCLXAWDEFUMLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c6-5-1-3-7-4-2-5/h1,3,5-6H,2,4H2.
What are the key properties of 3,4-dihydro-2H-pyran-4-ol?
3,4-dihydro-2H-pyran-4-ol has a molecular weight of 100.12 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 551493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).