[2-hydroxy-3-(2-hydroxyethoxy)propyl]-trimethylazanium

C8H20NO3+ — CID 22235278

IUPAC[2-hydroxy-3-(2-hydroxyethoxy)propyl]-trimethylazanium
SMILESC[N+](C)(C)CC(O)COCCO
InChIInChI=1S/C8H20NO3/c1-9(2,3)6-8(11)7-12-5-4-10/h8,10-11H,4-7H2,1-3H3/q+1
InChIKeyGJEBGIPLWOMRBX-UHFFFAOYSA-N
MW178.25 g/mol
LogP-0.94
Rot. Bonds6

About [2-hydroxy-3-(2-hydroxyethoxy)propyl]-trimethylazanium

[2-hydroxy-3-(2-hydroxyethoxy)propyl]-trimethylazanium (PubChem CID 22235278) has the molecular formula C8H20NO3+ and a molecular weight of 178.25 g/mol. Its IUPAC name is [2-hydroxy-3-(2-hydroxyethoxy)propyl]-trimethylazanium.

Molecular Properties

Compound Name[2-hydroxy-3-(2-hydroxyethoxy)propyl]-trimethylazanium
PubChem CID22235278
Molecular FormulaC8H20NO3+
Molecular Weight178.25 g/mol
Exact Mass178.14
IUPAC Name[2-hydroxy-3-(2-hydroxyethoxy)propyl]-trimethylazanium
SMILESC[N+](C)(C)CC(O)COCCO
InChIInChI=1S/C8H20NO3/c1-9(2,3)6-8(11)7-12-5-4-10/h8,10-11H,4-7H2,1-3H3/q+1
InChIKeyGJEBGIPLWOMRBX-UHFFFAOYSA-N
XLogP-0.94
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-hydroxyethoxy)propyl]-trimethylazanium?
The IUPAC name of [2-hydroxy-3-(2-hydroxyethoxy)propyl]-trimethylazanium (CID 22235278) is [2-hydroxy-3-(2-hydroxyethoxy)propyl]-trimethylazanium.
What is the SMILES notation for [2-hydroxy-3-(2-hydroxyethoxy)propyl]-trimethylazanium?
The canonical SMILES for [2-hydroxy-3-(2-hydroxyethoxy)propyl]-trimethylazanium is C[N+](C)(C)CC(O)COCCO.
What is the InChIKey of [2-hydroxy-3-(2-hydroxyethoxy)propyl]-trimethylazanium?
The InChIKey is GJEBGIPLWOMRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20NO3/c1-9(2,3)6-8(11)7-12-5-4-10/h8,10-11H,4-7H2,1-3H3/q+1.
What are the key properties of [2-hydroxy-3-(2-hydroxyethoxy)propyl]-trimethylazanium?
[2-hydroxy-3-(2-hydroxyethoxy)propyl]-trimethylazanium has a molecular weight of 178.25 g/mol, XLogP of -0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-hydroxyethoxy)propyl]-trimethylazanium is sourced from PubChem (CID 22235278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).