2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride

C11H26ClNO5 — CID 86709254

IUPAC2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride
SMILESCC[N+](CCO)(CCOCCO)CC(O)CO.[Cl-]
InChIInChI=1S/C11H26NO5.ClH/c1-2-12(3-5-13,9-11(16)10-15)4-7-17-8-6-14;/h11,13-16H,2-10H2,1H3;1H/q+1;/p-1
InChIKeyVOXXIURXHRYXAM-UHFFFAOYSA-M
MW287.78 g/mol
LogP-4.82
Rot. Bonds11

About 2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride

2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride (PubChem CID 86709254) has the molecular formula C11H26ClNO5 and a molecular weight of 287.78 g/mol. Its IUPAC name is 2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride.

Molecular Properties

Compound Name2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride
PubChem CID86709254
Molecular FormulaC11H26ClNO5
Molecular Weight287.78 g/mol
Exact Mass287.15
IUPAC Name2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride
SMILESCC[N+](CCO)(CCOCCO)CC(O)CO.[Cl-]
InChIInChI=1S/C11H26NO5.ClH/c1-2-12(3-5-13,9-11(16)10-15)4-7-17-8-6-14;/h11,13-16H,2-10H2,1H3;1H/q+1;/p-1
InChIKeyVOXXIURXHRYXAM-UHFFFAOYSA-M
XLogP-4.82
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 5-4.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Related Compounds

2,3-dihydroxypropyl-[2-(2-hydroxyethoxy)ethyl]-[3-(2-hydroxyethoxy)propyl]-[(9Z,12Z)-octadeca-9,12-dienyl]azanium
CID 86278329
diethyl-(2-hydroxyethyl)-[2-(2-methoxypropoxy)ethyl]azanium
CID 59153551
bis(2-hydroxyethyl)-bis(2-tetradecoxyethyl)azanium
CID 101163800
bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium
CID 101163799
2-[2-(2-butoxyethoxy)ethoxy]ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol
CID 159075301
2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol
CID 161125126
ethane-1,2-diol;ethanol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;propan-1-ol;propan-2-ol
CID 174809895
triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium
CID 88929505
ethane-1,2-diol;2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;propane-1,3-diol
CID 160644531
2,3-dihydroxypropyl-[2-(2-hydroxyethoxy)propyl]-dimethylazanium chloride
CID 86709256
triethyl-(2-hydroxy-3-tetradecoxypropyl)azanium chloride
CID 71335416
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-methylazanium
CID 170672450

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride?
The IUPAC name of 2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride (CID 86709254) is 2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride.
What is the SMILES notation for 2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride?
The canonical SMILES for 2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride is CC[N+](CCO)(CCOCCO)CC(O)CO.[Cl-].
What is the InChIKey of 2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride?
The InChIKey is VOXXIURXHRYXAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H26NO5.ClH/c1-2-12(3-5-13,9-11(16)10-15)4-7-17-8-6-14;/h11,13-16H,2-10H2,1H3;1H/q+1;/p-1.
What are the key properties of 2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride?
2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride has a molecular weight of 287.78 g/mol, XLogP of -4.82, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl-ethyl-[2-(2-hydroxyethoxy)ethyl]-(2-hydroxyethyl)azanium chloride is sourced from PubChem (CID 86709254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).