(6-methoxy-6-oxohexyl)-trimethylazanium

C10H22NO2+ — CID 139671551

IUPAC(6-methoxy-6-oxohexyl)-trimethylazanium
SMILESCOC(=O)CCCCC[N+](C)(C)C
InChIInChI=1S/C10H22NO2/c1-11(2,3)9-7-5-6-8-10(12)13-4/h5-9H2,1-4H3/q+1
InChIKeyVVDHZSRVZAXWJK-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.43
Rot. Bonds6

About (6-methoxy-6-oxohexyl)-trimethylazanium

(6-methoxy-6-oxohexyl)-trimethylazanium (PubChem CID 139671551) has the molecular formula C10H22NO2+ and a molecular weight of 188.29 g/mol. Its IUPAC name is (6-methoxy-6-oxohexyl)-trimethylazanium.

Molecular Properties

Compound Name(6-methoxy-6-oxohexyl)-trimethylazanium
PubChem CID139671551
Molecular FormulaC10H22NO2+
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name(6-methoxy-6-oxohexyl)-trimethylazanium
SMILESCOC(=O)CCCCC[N+](C)(C)C
InChIInChI=1S/C10H22NO2/c1-11(2,3)9-7-5-6-8-10(12)13-4/h5-9H2,1-4H3/q+1
InChIKeyVVDHZSRVZAXWJK-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.43
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'}

Analyze (6-methoxy-6-oxohexyl)-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
bis(11-methoxy-11-oxoundecyl)-methyl-octadecylazanium
CID 127032746
hexyl-bis(11-methoxy-11-oxoundecyl)-methylazanium
CID 127032742
dimethyl(dioctadecyl)azanium;methyl octadecanoate
CID 19424818
(6-ethoxy-6-oxohexyl)-trimethylazanium
CID 134828177
(11-methoxy-11-oxoundecyl)-dimethyl-tetradecylazanium bromide
CID 22755533
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
dimethyl 9-oxooctadecanedioate
CID 544455
dimethyl hexanedioate;molecular hydrogen
CID 173272620

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-6-oxohexyl)-trimethylazanium?
The IUPAC name of (6-methoxy-6-oxohexyl)-trimethylazanium (CID 139671551) is (6-methoxy-6-oxohexyl)-trimethylazanium.
What is the SMILES notation for (6-methoxy-6-oxohexyl)-trimethylazanium?
The canonical SMILES for (6-methoxy-6-oxohexyl)-trimethylazanium is COC(=O)CCCCC[N+](C)(C)C.
What is the InChIKey of (6-methoxy-6-oxohexyl)-trimethylazanium?
The InChIKey is VVDHZSRVZAXWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO2/c1-11(2,3)9-7-5-6-8-10(12)13-4/h5-9H2,1-4H3/q+1.
What are the key properties of (6-methoxy-6-oxohexyl)-trimethylazanium?
(6-methoxy-6-oxohexyl)-trimethylazanium has a molecular weight of 188.29 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-6-oxohexyl)-trimethylazanium is sourced from PubChem (CID 139671551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).