3,6-dihydro-2H-pyran-3-ol

C5H8O2 — CID 53421140

IUPAC3,6-dihydro-2H-pyran-3-ol
SMILESOC1C=CCOC1
InChIInChI=1S/C5H8O2/c6-5-2-1-3-7-4-5/h1-2,5-6H,3-4H2
InChIKeyIHVWAXHWELFEAT-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.07
Rot. Bonds

About 3,6-dihydro-2H-pyran-3-ol

3,6-dihydro-2H-pyran-3-ol (PubChem CID 53421140) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name3,6-dihydro-2H-pyran-3-ol
PubChem CID53421140
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name3,6-dihydro-2H-pyran-3-ol
SMILESOC1C=CCOC1
InChIInChI=1S/C5H8O2/c6-5-2-1-3-7-4-5/h1-2,5-6H,3-4H2
InChIKeyIHVWAXHWELFEAT-UHFFFAOYSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of 3,6-dihydro-2H-pyran-3-ol (CID 53421140) is 3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for 3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for 3,6-dihydro-2H-pyran-3-ol is OC1C=CCOC1.
What is the InChIKey of 3,6-dihydro-2H-pyran-3-ol?
The InChIKey is IHVWAXHWELFEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c6-5-2-1-3-7-4-5/h1-2,5-6H,3-4H2.
What are the key properties of 3,6-dihydro-2H-pyran-3-ol?
3,6-dihydro-2H-pyran-3-ol has a molecular weight of 100.12 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 53421140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).