[2-(2-ethylhexoxy)-2-oxoethyl]azanium

C10H22NO2+ — CID 163684998

IUPAC[2-(2-ethylhexoxy)-2-oxoethyl]azanium
SMILESCCCCC(CC)COC(=O)C[NH3+]
InChIInChI=1S/C10H21NO2/c1-3-5-6-9(4-2)8-13-10(12)7-11/h9H,3-8,11H2,1-2H3/p+1
InChIKeyJOCAXHSNGQKZHJ-UHFFFAOYSA-O
MW188.29 g/mol
LogP0.99
Rot. Bonds7

About [2-(2-ethylhexoxy)-2-oxoethyl]azanium

[2-(2-ethylhexoxy)-2-oxoethyl]azanium (PubChem CID 163684998) has the molecular formula C10H22NO2+ and a molecular weight of 188.29 g/mol. Its IUPAC name is [2-(2-ethylhexoxy)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(2-ethylhexoxy)-2-oxoethyl]azanium
PubChem CID163684998
Molecular FormulaC10H22NO2+
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name[2-(2-ethylhexoxy)-2-oxoethyl]azanium
SMILESCCCCC(CC)COC(=O)C[NH3+]
InChIInChI=1S/C10H21NO2/c1-3-5-6-9(4-2)8-13-10(12)7-11/h9H,3-8,11H2,1-2H3/p+1
InChIKeyJOCAXHSNGQKZHJ-UHFFFAOYSA-O
XLogP0.99
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylhexoxy)-2-oxoethyl]azanium?
The IUPAC name of [2-(2-ethylhexoxy)-2-oxoethyl]azanium (CID 163684998) is [2-(2-ethylhexoxy)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(2-ethylhexoxy)-2-oxoethyl]azanium?
The canonical SMILES for [2-(2-ethylhexoxy)-2-oxoethyl]azanium is CCCCC(CC)COC(=O)C[NH3+].
What is the InChIKey of [2-(2-ethylhexoxy)-2-oxoethyl]azanium?
The InChIKey is JOCAXHSNGQKZHJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21NO2/c1-3-5-6-9(4-2)8-13-10(12)7-11/h9H,3-8,11H2,1-2H3/p+1.
What are the key properties of [2-(2-ethylhexoxy)-2-oxoethyl]azanium?
[2-(2-ethylhexoxy)-2-oxoethyl]azanium has a molecular weight of 188.29 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylhexoxy)-2-oxoethyl]azanium is sourced from PubChem (CID 163684998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).