2-butoxy-1-ethoxypyridin-1-ium

C11H18NO2+ — CID 139777925

IUPAC2-butoxy-1-ethoxypyridin-1-ium
SMILESCCCCOc1cccc[n+]1OCC
InChIInChI=1S/C11H18NO2/c1-3-5-10-13-11-8-6-7-9-12(11)14-4-2/h6-9H,3-5,10H2,1-2H3/q+1
InChIKeyAWDHPOUTXDFPQH-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.60
Rot. Bonds6

About 2-butoxy-1-ethoxypyridin-1-ium

2-butoxy-1-ethoxypyridin-1-ium (PubChem CID 139777925) has the molecular formula C11H18NO2+ and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-butoxy-1-ethoxypyridin-1-ium.

Molecular Properties

Compound Name2-butoxy-1-ethoxypyridin-1-ium
PubChem CID139777925
Molecular FormulaC11H18NO2+
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name2-butoxy-1-ethoxypyridin-1-ium
SMILESCCCCOc1cccc[n+]1OCC
InChIInChI=1S/C11H18NO2/c1-3-5-10-13-11-8-6-7-9-12(11)14-4-2/h6-9H,3-5,10H2,1-2H3/q+1
InChIKeyAWDHPOUTXDFPQH-UHFFFAOYSA-N
XLogP1.60
TPSA22.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-octoxy-1-oxidopyridin-1-ium
CID 139607434
1-ethoxy-2-(4-propan-2-ylphenoxy)pyridin-1-ium
CID 139778202
2-ethenyl-1-ethoxypyridin-1-ium
CID 59705421
dioxido(4,4,4-triphenylbutoxy)borane;bis(1-ethoxy-2-(4-methylphenoxy)pyridin-1-ium)
CID 139778279
1-(1-ethoxypyridin-1-ium-2-yl)-2-fluoroethanone
CID 139778032
1-ethoxy-2-(9H-fluoren-9-yl)pyridin-1-ium
CID 139778278
2-butoxyisoquinolin-2-ium
CID 139739661
2-methoxy-1-propylpyridin-1-ium
CID 175412660
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
1,4-dibutoxynaphthalene
CID 22016411
1-ethoxy-2-[4-(trifluoromethyl)phenyl]pyridin-1-ium tetrafluoroborate
CID 162406573
1,4-dipentoxybenzene
CID 18314717

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-ethoxypyridin-1-ium?
The IUPAC name of 2-butoxy-1-ethoxypyridin-1-ium (CID 139777925) is 2-butoxy-1-ethoxypyridin-1-ium.
What is the SMILES notation for 2-butoxy-1-ethoxypyridin-1-ium?
The canonical SMILES for 2-butoxy-1-ethoxypyridin-1-ium is CCCCOc1cccc[n+]1OCC.
What is the InChIKey of 2-butoxy-1-ethoxypyridin-1-ium?
The InChIKey is AWDHPOUTXDFPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO2/c1-3-5-10-13-11-8-6-7-9-12(11)14-4-2/h6-9H,3-5,10H2,1-2H3/q+1.
What are the key properties of 2-butoxy-1-ethoxypyridin-1-ium?
2-butoxy-1-ethoxypyridin-1-ium has a molecular weight of 196.27 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-ethoxypyridin-1-ium is sourced from PubChem (CID 139777925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).