ethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium

C11H26NO2+ — CID 175240899

IUPACethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium
SMILESCCCCCOC(O)C[N+](C)(C)CC
InChIInChI=1S/C11H26NO2/c1-5-7-8-9-14-11(13)10-12(3,4)6-2/h11,13H,5-10H2,1-4H3/q+1
InChIKeyHHBXXIJEHFSCLK-UHFFFAOYSA-N
MW204.33 g/mol
LogP1.61
Rot. Bonds8

About ethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium

ethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium (PubChem CID 175240899) has the molecular formula C11H26NO2+ and a molecular weight of 204.33 g/mol. Its IUPAC name is ethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium.

Molecular Properties

Compound Nameethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium
PubChem CID175240899
Molecular FormulaC11H26NO2+
Molecular Weight204.33 g/mol
Exact Mass204.20
IUPAC Nameethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium
SMILESCCCCCOC(O)C[N+](C)(C)CC
InChIInChI=1S/C11H26NO2/c1-5-7-8-9-14-11(13)10-12(3,4)6-2/h11,13H,5-10H2,1-4H3/q+1
InChIKeyHHBXXIJEHFSCLK-UHFFFAOYSA-N
XLogP1.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 51.61
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'}

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Related Compounds

1-undecoxypropan-1-ol
CID 139971923
1-heptoxypropan-1-ol
CID 19598529
1-undecoxybutan-1-ol
CID 139971924
N-ethyl-N,3-dihydroxy-3-tridecoxypropan-1-amine oxide
CID 88732216
ethyl-(2-hydroxypentadecyl)-dimethylazanium
CID 141451685
3-chloro-1-pentoxypropan-1-ol
CID 174943404
icosoxymethanediol
CID 175975847
1-pentoxyethanol
CID 19598527
2-hydroxypropyl-dimethyl-(octoxymethyl)azanium
CID 11448914
2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium
CID 11235536
1-(4-hexoxybutoxy)butan-1-ol
CID 141002472
1-icosoxybutane-1,4-diol
CID 175387447

Frequently Asked Questions

What is the IUPAC name of ethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium?
The IUPAC name of ethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium (CID 175240899) is ethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium.
What is the SMILES notation for ethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium?
The canonical SMILES for ethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium is CCCCCOC(O)C[N+](C)(C)CC.
What is the InChIKey of ethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium?
The InChIKey is HHBXXIJEHFSCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO2/c1-5-7-8-9-14-11(13)10-12(3,4)6-2/h11,13H,5-10H2,1-4H3/q+1.
What are the key properties of ethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium?
ethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium has a molecular weight of 204.33 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-hydroxy-2-pentoxyethyl)-dimethylazanium is sourced from PubChem (CID 175240899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).