2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine

C16H23NO2 — CID 70839515

IUPAC2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine
SMILESCCCCOc1ccc(/C=C\C2CCOCC2)cn1
InChIInChI=1S/C16H23NO2/c1-2-3-10-19-16-7-6-15(13-17-16)5-4-14-8-11-18-12-9-14/h4-7,13-14H,2-3,8-12H2,1H3/b5-4-
InChIKeyFXQVZONBBQLCMG-PLNGDYQASA-N
MW261.37 g/mol
LogP3.70
Rot. Bonds6

About 2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine

2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine (PubChem CID 70839515) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine.

Molecular Properties

Compound Name2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine
PubChem CID70839515
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine
SMILESCCCCOc1ccc(/C=C\C2CCOCC2)cn1
InChIInChI=1S/C16H23NO2/c1-2-3-10-19-16-7-6-15(13-17-16)5-4-14-8-11-18-12-9-14/h4-7,13-14H,2-3,8-12H2,1H3/b5-4-
InChIKeyFXQVZONBBQLCMG-PLNGDYQASA-N
XLogP3.70
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine?
The IUPAC name of 2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine (CID 70839515) is 2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine.
What is the SMILES notation for 2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine?
The canonical SMILES for 2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine is CCCCOc1ccc(/C=C\C2CCOCC2)cn1.
What is the InChIKey of 2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine?
The InChIKey is FXQVZONBBQLCMG-PLNGDYQASA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-10-19-16-7-6-15(13-17-16)5-4-14-8-11-18-12-9-14/h4-7,13-14H,2-3,8-12H2,1H3/b5-4-.
What are the key properties of 2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine?
2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine has a molecular weight of 261.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-5-[(Z)-2-(oxan-4-yl)ethenyl]pyridine is sourced from PubChem (CID 70839515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).