ethoxy-diethyl-hydroxyazanium

C6H16NO2+ — CID 88673809

IUPACethoxy-diethyl-hydroxyazanium
SMILESCCO[N+](O)(CC)CC
InChIInChI=1S/C6H16NO2/c1-4-7(8,5-2)9-6-3/h8H,4-6H2,1-3H3/q+1
InChIKeyMBGQJEQEWKGOFP-UHFFFAOYSA-N
MW134.20 g/mol
LogP1.18
Rot. Bonds4

About ethoxy-diethyl-hydroxyazanium

ethoxy-diethyl-hydroxyazanium (PubChem CID 88673809) has the molecular formula C6H16NO2+ and a molecular weight of 134.20 g/mol. Its IUPAC name is ethoxy-diethyl-hydroxyazanium.

Molecular Properties

Compound Nameethoxy-diethyl-hydroxyazanium
PubChem CID88673809
Molecular FormulaC6H16NO2+
Molecular Weight134.20 g/mol
Exact Mass134.12
IUPAC Nameethoxy-diethyl-hydroxyazanium
SMILESCCO[N+](O)(CC)CC
InChIInChI=1S/C6H16NO2/c1-4-7(8,5-2)9-6-3/h8H,4-6H2,1-3H3/q+1
InChIKeyMBGQJEQEWKGOFP-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-diethyl-hydroxyazanium?
The IUPAC name of ethoxy-diethyl-hydroxyazanium (CID 88673809) is ethoxy-diethyl-hydroxyazanium.
What is the SMILES notation for ethoxy-diethyl-hydroxyazanium?
The canonical SMILES for ethoxy-diethyl-hydroxyazanium is CCO[N+](O)(CC)CC.
What is the InChIKey of ethoxy-diethyl-hydroxyazanium?
The InChIKey is MBGQJEQEWKGOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO2/c1-4-7(8,5-2)9-6-3/h8H,4-6H2,1-3H3/q+1.
What are the key properties of ethoxy-diethyl-hydroxyazanium?
ethoxy-diethyl-hydroxyazanium has a molecular weight of 134.20 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-diethyl-hydroxyazanium is sourced from PubChem (CID 88673809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).