ethyl-tris(1-hydroxyethyl)azanium hydroxide

C8H21NO4 — CID 88688051

IUPACethyl-tris(1-hydroxyethyl)azanium hydroxide
SMILESCC[N+](C(C)O)(C(C)O)C(C)O.[OH-]
InChIInChI=1S/C8H20NO3.H2O/c1-5-9(6(2)10,7(3)11)8(4)12;/h6-8,10-12H,5H2,1-4H3;1H2/q+1;/p-1
InChIKeyXMOKJCKEYSKIQN-UHFFFAOYSA-M
MW195.26 g/mol
LogP-0.34
Rot. Bonds4

About ethyl-tris(1-hydroxyethyl)azanium hydroxide

ethyl-tris(1-hydroxyethyl)azanium hydroxide (PubChem CID 88688051) has the molecular formula C8H21NO4 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl-tris(1-hydroxyethyl)azanium hydroxide.

Molecular Properties

Compound Nameethyl-tris(1-hydroxyethyl)azanium hydroxide
PubChem CID88688051
Molecular FormulaC8H21NO4
Molecular Weight195.26 g/mol
Exact Mass195.15
IUPAC Nameethyl-tris(1-hydroxyethyl)azanium hydroxide
SMILESCC[N+](C(C)O)(C(C)O)C(C)O.[OH-]
InChIInChI=1S/C8H20NO3.H2O/c1-5-9(6(2)10,7(3)11)8(4)12;/h6-8,10-12H,5H2,1-4H3;1H2/q+1;/p-1
InChIKeyXMOKJCKEYSKIQN-UHFFFAOYSA-M
XLogP-0.34
TPSA90.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

tris(1-hydroxyethyl)-octadecylazanium bromide
CID 18003854
1-hydroxyethyl(tripropyl)azanium hydroxide
CID 88798296
propane-1,2-diol;tetraethylazanium;hydroxide
CID 175392137
barium(2+);butan-2-ol;hydride;hydrate
CID 174746471
potassium;1-aminopropan-2-ol;hydroxide
CID 175114009
diazanium;1-hydroxypropylazanium;trihydroxide
CID 141052061
(2R)-2-hydroxysulfanylbutane
CID 142533001
diethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride
CID 175037929
sodium;propan-2-ol;hydroxide
CID 87652802
azanium;ethane-1,1-diol;hydroxide
CID 159460124
tris(butan-2-ol);gallane
CID 175569742
methanol;tetraethylazanium;hydroxide
CID 159654840

Frequently Asked Questions

What is the IUPAC name of ethyl-tris(1-hydroxyethyl)azanium hydroxide?
The IUPAC name of ethyl-tris(1-hydroxyethyl)azanium hydroxide (CID 88688051) is ethyl-tris(1-hydroxyethyl)azanium hydroxide.
What is the SMILES notation for ethyl-tris(1-hydroxyethyl)azanium hydroxide?
The canonical SMILES for ethyl-tris(1-hydroxyethyl)azanium hydroxide is CC[N+](C(C)O)(C(C)O)C(C)O.[OH-].
What is the InChIKey of ethyl-tris(1-hydroxyethyl)azanium hydroxide?
The InChIKey is XMOKJCKEYSKIQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO3.H2O/c1-5-9(6(2)10,7(3)11)8(4)12;/h6-8,10-12H,5H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of ethyl-tris(1-hydroxyethyl)azanium hydroxide?
ethyl-tris(1-hydroxyethyl)azanium hydroxide has a molecular weight of 195.26 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-tris(1-hydroxyethyl)azanium hydroxide is sourced from PubChem (CID 88688051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).