2-(3,6-dihydro-2H-pyran-6-ylmethoxy)-6-ethylpyridine

C13H17NO2 — CID 19437036

IUPAC2-(3,6-dihydro-2H-pyran-6-ylmethoxy)-6-ethylpyridine
SMILESCCc1cccc(OCC2C=CCCO2)n1
InChIInChI=1S/C13H17NO2/c1-2-11-6-5-8-13(14-11)16-10-12-7-3-4-9-15-12/h3,5-8,12H,2,4,9-10H2,1H3
InChIKeyKYRGVMZRDJVTDM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.37
Rot. Bonds4

About 2-(3,6-dihydro-2H-pyran-6-ylmethoxy)-6-ethylpyridine

2-(3,6-dihydro-2H-pyran-6-ylmethoxy)-6-ethylpyridine (PubChem CID 19437036) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-6-ylmethoxy)-6-ethylpyridine.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-6-ylmethoxy)-6-ethylpyridine
PubChem CID19437036
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(3,6-dihydro-2H-pyran-6-ylmethoxy)-6-ethylpyridine
SMILESCCc1cccc(OCC2C=CCCO2)n1
InChIInChI=1S/C13H17NO2/c1-2-11-6-5-8-13(14-11)16-10-12-7-3-4-9-15-12/h3,5-8,12H,2,4,9-10H2,1H3
InChIKeyKYRGVMZRDJVTDM-UHFFFAOYSA-N
XLogP2.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(3,6-dihydro-2H-pyran-6-ylmethoxy)-6-ethylpyridine?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-6-ylmethoxy)-6-ethylpyridine (CID 19437036) is 2-(3,6-dihydro-2H-pyran-6-ylmethoxy)-6-ethylpyridine.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-6-ylmethoxy)-6-ethylpyridine?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-6-ylmethoxy)-6-ethylpyridine is CCc1cccc(OCC2C=CCCO2)n1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-6-ylmethoxy)-6-ethylpyridine?
The InChIKey is KYRGVMZRDJVTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-11-6-5-8-13(14-11)16-10-12-7-3-4-9-15-12/h3,5-8,12H,2,4,9-10H2,1H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-6-ylmethoxy)-6-ethylpyridine?
2-(3,6-dihydro-2H-pyran-6-ylmethoxy)-6-ethylpyridine has a molecular weight of 219.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-6-ylmethoxy)-6-ethylpyridine is sourced from PubChem (CID 19437036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).