2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine

C15H19NO2 — CID 155226523

IUPAC2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine
SMILESCCc1cccc(C#CCOC2CCCCO2)n1
InChIInChI=1S/C15H19NO2/c1-2-13-7-5-8-14(16-13)9-6-12-18-15-10-3-4-11-17-15/h5,7-8,15H,2-4,10-12H2,1H3
InChIKeyLMXIOZWVSUSPLN-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.54
Rot. Bonds3

About 2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine

2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine (PubChem CID 155226523) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine.

Molecular Properties

Compound Name2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine
PubChem CID155226523
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine
SMILESCCc1cccc(C#CCOC2CCCCO2)n1
InChIInChI=1S/C15H19NO2/c1-2-13-7-5-8-14(16-13)9-6-12-18-15-10-3-4-11-17-15/h5,7-8,15H,2-4,10-12H2,1H3
InChIKeyLMXIOZWVSUSPLN-UHFFFAOYSA-N
XLogP2.54
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-ethylphenyl)prop-2-ynoxy]oxane
CID 59407658
2-(3-naphthalen-1-ylprop-2-ynoxy)oxane
CID 146003722
2-(3-phenylprop-2-ynoxy)oxane
CID 11665682
3-bromo-6-[3-(oxan-2-yloxy)prop-1-ynyl]-2-(trifluoromethyl)pyridine
CID 169096238
2-(4-ethoxybut-2-ynoxy)oxane
CID 68529463
4-[3-(oxan-2-yloxy)prop-1-ynyl]benzonitrile
CID 166449331
2-[3-(4-fluoro-3-methylphenyl)prop-2-ynoxy]oxane
CID 59407505
[2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol
CID 15647828
2-(4-phenoxybut-2-ynoxy)oxane
CID 19849494
2-hex-2-ynoxyoxane
CID 11041365
2-[3-(4-chloro-3-methylphenyl)prop-2-ynoxy]oxane
CID 146002992
2-[3-(5-chloro-2-methoxyphenyl)prop-2-ynoxy]oxane
CID 146002899

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine?
The IUPAC name of 2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine (CID 155226523) is 2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine.
What is the SMILES notation for 2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine?
The canonical SMILES for 2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine is CCc1cccc(C#CCOC2CCCCO2)n1.
What is the InChIKey of 2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine?
The InChIKey is LMXIOZWVSUSPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-13-7-5-8-14(16-13)9-6-12-18-15-10-3-4-11-17-15/h5,7-8,15H,2-4,10-12H2,1H3.
What are the key properties of 2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine?
2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine has a molecular weight of 245.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[3-(oxan-2-yloxy)prop-1-ynyl]pyridine is sourced from PubChem (CID 155226523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).