3,6-dihydro-2H-pyran

C5H8O — CID 520540

IUPAC3,6-dihydro-2H-pyran
SMILESC1=CCOCC1
InChIInChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2
InChIKeyMUGSKSNNEORSJG-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.96
Rot. Bonds

About 3,6-dihydro-2H-pyran

3,6-dihydro-2H-pyran (PubChem CID 520540) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name3,6-dihydro-2H-pyran
PubChem CID520540
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name3,6-dihydro-2H-pyran
SMILESC1=CCOCC1
InChIInChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2
InChIKeyMUGSKSNNEORSJG-UHFFFAOYSA-N
XLogP0.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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?
The IUPAC name of 3,6-dihydro-2H-pyran (CID 520540) is 3,6-dihydro-2H-pyran.
What is the SMILES notation for 3,6-dihydro-2H-pyran?
The canonical SMILES for 3,6-dihydro-2H-pyran is C1=CCOCC1.
What is the InChIKey of 3,6-dihydro-2H-pyran?
The InChIKey is MUGSKSNNEORSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2.
What are the key properties of 3,6-dihydro-2H-pyran?
3,6-dihydro-2H-pyran has a molecular weight of 84.12 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyran is sourced from PubChem (CID 520540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).