(3-methoxy-2-propoxypropyl)-trimethylazanium chloride

C10H24ClNO2 — CID 162304879

IUPAC(3-methoxy-2-propoxypropyl)-trimethylazanium chloride
SMILESCCCOC(COC)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H24NO2.ClH/c1-6-7-13-10(9-12-5)8-11(2,3)4;/h10H,6-9H2,1-5H3;1H/q+1;/p-1
InChIKeyZOMJUSZJCIIUOI-UHFFFAOYSA-M
MW225.76 g/mol
LogP-1.86
Rot. Bonds7

About (3-methoxy-2-propoxypropyl)-trimethylazanium chloride

(3-methoxy-2-propoxypropyl)-trimethylazanium chloride (PubChem CID 162304879) has the molecular formula C10H24ClNO2 and a molecular weight of 225.76 g/mol. Its IUPAC name is (3-methoxy-2-propoxypropyl)-trimethylazanium chloride.

Molecular Properties

Compound Name(3-methoxy-2-propoxypropyl)-trimethylazanium chloride
PubChem CID162304879
Molecular FormulaC10H24ClNO2
Molecular Weight225.76 g/mol
Exact Mass225.15
IUPAC Name(3-methoxy-2-propoxypropyl)-trimethylazanium chloride
SMILESCCCOC(COC)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H24NO2.ClH/c1-6-7-13-10(9-12-5)8-11(2,3)4;/h10H,6-9H2,1-5H3;1H/q+1;/p-1
InChIKeyZOMJUSZJCIIUOI-UHFFFAOYSA-M
XLogP-1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxy-2-propoxypropoxy)butane
CID 90999549
2,3-bis[(Z)-octadec-9-enoxy]propyl-trimethylazanium chloride
CID 6438350
[(2R)-2,3-bis[(Z)-octadec-9-enoxy]propyl]-trimethylazanium chloride
CID 118978115
[(2S)-2,3-bis[(Z)-octadec-9-enoxy]propyl]-trimethylazanium chloride
CID 15056905
(2-butoxy-3-fluoropropyl)-trimethylazanium
CID 87169985
[3-ethoxy-2-[(E)-heptadec-9-enoxy]propyl]-trimethylazanium chloride
CID 10410645
trimethyl-[2-[(E)-octadec-9-enoxy]-3-[(Z)-octadec-9-enoxy]propyl]azanium
CID 10122548
2-dodecoxytetradecyl(trimethyl)azanium
CID 175487629
(3-dodecoxy-2-hydroxypropyl)-trimethylazanium chloride
CID 86243846
(2-hydroxy-3-tetradecoxypropyl)-trimethylazanium chloride
CID 88503365
2-butoxy-3-methoxypropan-1-amine
CID 103227994
2-propoxypentan-1-ol
CID 140655109

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-propoxypropyl)-trimethylazanium chloride?
The IUPAC name of (3-methoxy-2-propoxypropyl)-trimethylazanium chloride (CID 162304879) is (3-methoxy-2-propoxypropyl)-trimethylazanium chloride.
What is the SMILES notation for (3-methoxy-2-propoxypropyl)-trimethylazanium chloride?
The canonical SMILES for (3-methoxy-2-propoxypropyl)-trimethylazanium chloride is CCCOC(COC)C[N+](C)(C)C.[Cl-].
What is the InChIKey of (3-methoxy-2-propoxypropyl)-trimethylazanium chloride?
The InChIKey is ZOMJUSZJCIIUOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24NO2.ClH/c1-6-7-13-10(9-12-5)8-11(2,3)4;/h10H,6-9H2,1-5H3;1H/q+1;/p-1.
What are the key properties of (3-methoxy-2-propoxypropyl)-trimethylazanium chloride?
(3-methoxy-2-propoxypropyl)-trimethylazanium chloride has a molecular weight of 225.76 g/mol, XLogP of -1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-propoxypropyl)-trimethylazanium chloride is sourced from PubChem (CID 162304879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).