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

C6H10O2 — CID 557737

IUPAC6-methoxy-3,6-dihydro-2H-pyran
SMILESCOC1C=CCCO1
InChIInChI=1S/C6H10O2/c1-7-6-4-2-3-5-8-6/h2,4,6H,3,5H2,1H3
InChIKeyGDFYSKJHNPMQFM-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.94
Rot. Bonds1

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

6-methoxy-3,6-dihydro-2H-pyran (PubChem CID 557737) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 6-methoxy-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-methoxy-3,6-dihydro-2H-pyran
PubChem CID557737
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name6-methoxy-3,6-dihydro-2H-pyran
SMILESCOC1C=CCCO1
InChIInChI=1S/C6H10O2/c1-7-6-4-2-3-5-8-6/h2,4,6H,3,5H2,1H3
InChIKeyGDFYSKJHNPMQFM-UHFFFAOYSA-N
XLogP0.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.94
H-Bond Donors ≤ 50
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 6-methoxy-3,6-dihydro-2H-pyran?
The IUPAC name of 6-methoxy-3,6-dihydro-2H-pyran (CID 557737) is 6-methoxy-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-methoxy-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-methoxy-3,6-dihydro-2H-pyran is COC1C=CCCO1.
What is the InChIKey of 6-methoxy-3,6-dihydro-2H-pyran?
The InChIKey is GDFYSKJHNPMQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-7-6-4-2-3-5-8-6/h2,4,6H,3,5H2,1H3.
What are the key properties of 6-methoxy-3,6-dihydro-2H-pyran?
6-methoxy-3,6-dihydro-2H-pyran has a molecular weight of 114.14 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,6-dihydro-2H-pyran is sourced from PubChem (CID 557737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).