2-ethylhexyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium

C14H32NO2+ — CID 87123603

IUPAC2-ethylhexyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium
SMILESCCCCC(CC)C[N+](C)(C)CC(O)COC
InChIInChI=1S/C14H32NO2/c1-6-8-9-13(7-2)10-15(3,4)11-14(16)12-17-5/h13-14,16H,6-12H2,1-5H3/q+1
InChIKeyOPYGKHNXNXUOHA-UHFFFAOYSA-N
MW246.41 g/mol
LogP2.29
Rot. Bonds10

About 2-ethylhexyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium

2-ethylhexyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium (PubChem CID 87123603) has the molecular formula C14H32NO2+ and a molecular weight of 246.41 g/mol. Its IUPAC name is 2-ethylhexyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium.

Molecular Properties

Compound Name2-ethylhexyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium
PubChem CID87123603
Molecular FormulaC14H32NO2+
Molecular Weight246.41 g/mol
Exact Mass246.24
IUPAC Name2-ethylhexyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium
SMILESCCCCC(CC)C[N+](C)(C)CC(O)COC
InChIInChI=1S/C14H32NO2/c1-6-8-9-13(7-2)10-15(3,4)11-14(16)12-17-5/h13-14,16H,6-12H2,1-5H3/q+1
InChIKeyOPYGKHNXNXUOHA-UHFFFAOYSA-N
XLogP2.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxyhexan-2-ol;propane-1,2,3-triol
CID 162066380
CID 88753128
CID 88753128
4-ethyl-1-[3-(4-ethyl-2-hydroxyoctoxy)propoxy]octan-2-ol
CID 175206143
5-(methoxymethyl)decane
CID 123387036
1-(2-ethylhexylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 114004592
(6R,9R)-3,9-diethyltridecan-6-ol
CID 86308442
1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol
CID 165350340
(2R)-3-[(2R)-2-ethylhexoxy]propane-1,2-diol
CID 73416378
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
1-(2-ethylhexoxy)-3-(4-methoxybutan-2-ylamino)propan-2-ol
CID 64604441
hexadecyl-[3-[2-[3-[hexadecyl(dimethyl)azaniumyl]-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl]-dimethylazanium
CID 175685376

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium?
The IUPAC name of 2-ethylhexyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium (CID 87123603) is 2-ethylhexyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium.
What is the SMILES notation for 2-ethylhexyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium?
The canonical SMILES for 2-ethylhexyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium is CCCCC(CC)C[N+](C)(C)CC(O)COC.
What is the InChIKey of 2-ethylhexyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium?
The InChIKey is OPYGKHNXNXUOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO2/c1-6-8-9-13(7-2)10-15(3,4)11-14(16)12-17-5/h13-14,16H,6-12H2,1-5H3/q+1.
What are the key properties of 2-ethylhexyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium?
2-ethylhexyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium has a molecular weight of 246.41 g/mol, XLogP of 2.29, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium is sourced from PubChem (CID 87123603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).