dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride

C18H40ClNO2 — CID 11382153

IUPACdodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride
SMILESCCCCCCCCCCCCOC[N+](C)(C)CCCO.[Cl-]
InChIInChI=1S/C18H40NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-21-18-19(2,3)15-14-16-20;/h20H,4-18H2,1-3H3;1H/q+1;/p-1
InChIKeyYMHNEPLOYOSWTF-UHFFFAOYSA-M
MW337.98 g/mol
LogP1.34
Rot. Bonds16

About dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride

dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride (PubChem CID 11382153) has the molecular formula C18H40ClNO2 and a molecular weight of 337.98 g/mol. Its IUPAC name is dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride.

Molecular Properties

Compound Namedodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride
PubChem CID11382153
Molecular FormulaC18H40ClNO2
Molecular Weight337.98 g/mol
Exact Mass337.27
IUPAC Namedodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride
SMILESCCCCCCCCCCCCOC[N+](C)(C)CCCO.[Cl-]
InChIInChI=1S/C18H40NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-21-18-19(2,3)15-14-16-20;/h20H,4-18H2,1-3H3;1H/q+1;/p-1
InChIKeyYMHNEPLOYOSWTF-UHFFFAOYSA-M
XLogP1.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.98
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride 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

hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride
CID 11299429
dodecyl-dimethyl-(nonoxymethyl)azanium chloride
CID 3025992
decyl-dimethyl-(octoxymethyl)azanium
CID 10406436
butoxymethyl-decyl-dimethylazanium
CID 10494975
dimethyl-octyl-(propoxymethyl)azanium chloride
CID 10825613
dodecoxymethyl-tris(2-hydroxyethyl)azanium
CID 3018618
3-hydroxypropyl-dimethyl-octylazanium
CID 139953479
2-hydroxypropyl-dimethyl-(octoxymethyl)azanium
CID 11448914
2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium
CID 11235536
decyl-(6-hydroxyhexyl)-dimethylazanium chloride
CID 167454737
2-dodecoxyethyl-bis(2-hydroxyethyl)-methylazanium
CID 139716436
5-octoxypentan-1-ol
CID 22407981

Frequently Asked Questions

What is the IUPAC name of dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride?
The IUPAC name of dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride (CID 11382153) is dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride.
What is the SMILES notation for dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride?
The canonical SMILES for dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride is CCCCCCCCCCCCOC[N+](C)(C)CCCO.[Cl-].
What is the InChIKey of dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride?
The InChIKey is YMHNEPLOYOSWTF-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H40NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-21-18-19(2,3)15-14-16-20;/h20H,4-18H2,1-3H3;1H/q+1;/p-1.
What are the key properties of dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride?
dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride has a molecular weight of 337.98 g/mol, XLogP of 1.34, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride is sourced from PubChem (CID 11382153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).