(6-ethoxy-6-oxohexyl)-trimethylazanium

C11H24NO2+ — CID 134828177

IUPAC(6-ethoxy-6-oxohexyl)-trimethylazanium
SMILESCCOC(=O)CCCCC[N+](C)(C)C
InChIInChI=1S/C11H24NO2/c1-5-14-11(13)9-7-6-8-10-12(2,3)4/h5-10H2,1-4H3/q+1
InChIKeyJVNBVGWOVZDBTI-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.82
Rot. Bonds7

About (6-ethoxy-6-oxohexyl)-trimethylazanium

(6-ethoxy-6-oxohexyl)-trimethylazanium (PubChem CID 134828177) has the molecular formula C11H24NO2+ and a molecular weight of 202.32 g/mol. Its IUPAC name is (6-ethoxy-6-oxohexyl)-trimethylazanium.

Molecular Properties

Compound Name(6-ethoxy-6-oxohexyl)-trimethylazanium
PubChem CID134828177
Molecular FormulaC11H24NO2+
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name(6-ethoxy-6-oxohexyl)-trimethylazanium
SMILESCCOC(=O)CCCCC[N+](C)(C)C
InChIInChI=1S/C11H24NO2/c1-5-14-11(13)9-7-6-8-10-12(2,3)4/h5-10H2,1-4H3/q+1
InChIKeyJVNBVGWOVZDBTI-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.82
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_2', 'substructure': 'N/A'}

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Related Compounds

diethyl icosanedioate
CID 5058538
diethyl hexanedioate
CID 160747628
sodium;diethyl decanedioate;hydride
CID 173076435
(6-dodecoxy-6-oxohexyl)-trimethylazanium iodide
CID 156812733
3-dodecanoyloxypropyl(trimethyl)azanium
CID 11111693
(6-methoxy-6-oxohexyl)-trimethylazanium
CID 139671551
trimethyl-[2-[8-oxo-8-[2-(trimethylazaniumyl)ethoxy]octanoyl]oxyethyl]azanium;hydrochloride
CID 133112697
ethyl undecanoate
CID 12327
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
pentakis(ethyl octanoate);hexane
CID 173194775
trimethyl(2-octadecanoyloxyethyl)azanium;hydroiodide
CID 133108690

Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-6-oxohexyl)-trimethylazanium?
The IUPAC name of (6-ethoxy-6-oxohexyl)-trimethylazanium (CID 134828177) is (6-ethoxy-6-oxohexyl)-trimethylazanium.
What is the SMILES notation for (6-ethoxy-6-oxohexyl)-trimethylazanium?
The canonical SMILES for (6-ethoxy-6-oxohexyl)-trimethylazanium is CCOC(=O)CCCCC[N+](C)(C)C.
What is the InChIKey of (6-ethoxy-6-oxohexyl)-trimethylazanium?
The InChIKey is JVNBVGWOVZDBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO2/c1-5-14-11(13)9-7-6-8-10-12(2,3)4/h5-10H2,1-4H3/q+1.
What are the key properties of (6-ethoxy-6-oxohexyl)-trimethylazanium?
(6-ethoxy-6-oxohexyl)-trimethylazanium has a molecular weight of 202.32 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-6-oxohexyl)-trimethylazanium is sourced from PubChem (CID 134828177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).