(6-ethoxy-6-oxohexyl)-dimethylazanium

C10H22NO2+ — CID 20571658

IUPAC(6-ethoxy-6-oxohexyl)-dimethylazanium
SMILESCCOC(=O)CCCCC[NH+](C)C
InChIInChI=1S/C10H21NO2/c1-4-13-10(12)8-6-5-7-9-11(2)3/h4-9H2,1-3H3/p+1
InChIKeyMLRLKCCSQCCSED-UHFFFAOYSA-O
MW188.29 g/mol
LogP0.25
Rot. Bonds7

About (6-ethoxy-6-oxohexyl)-dimethylazanium

(6-ethoxy-6-oxohexyl)-dimethylazanium (PubChem CID 20571658) has the molecular formula C10H22NO2+ and a molecular weight of 188.29 g/mol. Its IUPAC name is (6-ethoxy-6-oxohexyl)-dimethylazanium.

Molecular Properties

Compound Name(6-ethoxy-6-oxohexyl)-dimethylazanium
PubChem CID20571658
Molecular FormulaC10H22NO2+
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name(6-ethoxy-6-oxohexyl)-dimethylazanium
SMILESCCOC(=O)CCCCC[NH+](C)C
InChIInChI=1S/C10H21NO2/c1-4-13-10(12)8-6-5-7-9-11(2)3/h4-9H2,1-3H3/p+1
InChIKeyMLRLKCCSQCCSED-UHFFFAOYSA-O
XLogP0.25
TPSA30.74 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 ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethyl icosanedioate
CID 5058538
diethyl hexanedioate
CID 160747628
dimethyl-(5-oxo-5-propoxypentyl)azanium
CID 162020301
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl undecanoate
CID 12327
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl decanoate;methanol
CID 161391102
23-ethoxy-23-oxotricosanoic acid
CID 67326593
21-ethoxy-21-oxohenicosanoic acid
CID 155487301
diethyl decanedioate;propanedioic acid
CID 174518023

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-6-oxohexyl)-dimethylazanium?
The IUPAC name of (6-ethoxy-6-oxohexyl)-dimethylazanium (CID 20571658) is (6-ethoxy-6-oxohexyl)-dimethylazanium.
What is the SMILES notation for (6-ethoxy-6-oxohexyl)-dimethylazanium?
The canonical SMILES for (6-ethoxy-6-oxohexyl)-dimethylazanium is CCOC(=O)CCCCC[NH+](C)C.
What is the InChIKey of (6-ethoxy-6-oxohexyl)-dimethylazanium?
The InChIKey is MLRLKCCSQCCSED-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21NO2/c1-4-13-10(12)8-6-5-7-9-11(2)3/h4-9H2,1-3H3/p+1.
What are the key properties of (6-ethoxy-6-oxohexyl)-dimethylazanium?
(6-ethoxy-6-oxohexyl)-dimethylazanium has a molecular weight of 188.29 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-6-oxohexyl)-dimethylazanium is sourced from PubChem (CID 20571658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).