acetyl-tris(1-hydroxyethyl)azanium

C8H18NO4+ — CID 87848379

IUPACacetyl-tris(1-hydroxyethyl)azanium
SMILESCC(=O)[N+](C(C)O)(C(C)O)C(C)O
InChIInChI=1S/C8H18NO4/c1-5(10)9(6(2)11,7(3)12)8(4)13/h5-7,10-12H,1-4H3/q+1
InChIKeyRZJZJAHFGVXZHX-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.64
Rot. Bonds3

About acetyl-tris(1-hydroxyethyl)azanium

acetyl-tris(1-hydroxyethyl)azanium (PubChem CID 87848379) has the molecular formula C8H18NO4+ and a molecular weight of 192.23 g/mol. Its IUPAC name is acetyl-tris(1-hydroxyethyl)azanium.

Molecular Properties

Compound Nameacetyl-tris(1-hydroxyethyl)azanium
PubChem CID87848379
Molecular FormulaC8H18NO4+
Molecular Weight192.23 g/mol
Exact Mass192.12
IUPAC Nameacetyl-tris(1-hydroxyethyl)azanium
SMILESCC(=O)[N+](C(C)O)(C(C)O)C(C)O
InChIInChI=1S/C8H18NO4/c1-5(10)9(6(2)11,7(3)12)8(4)13/h5-7,10-12H,1-4H3/q+1
InChIKeyRZJZJAHFGVXZHX-UHFFFAOYSA-N
XLogP-0.64
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.64
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

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ethanol;methanol;propan-2-ol;propan-2-one
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Frequently Asked Questions

What is the IUPAC name of acetyl-tris(1-hydroxyethyl)azanium?
The IUPAC name of acetyl-tris(1-hydroxyethyl)azanium (CID 87848379) is acetyl-tris(1-hydroxyethyl)azanium.
What is the SMILES notation for acetyl-tris(1-hydroxyethyl)azanium?
The canonical SMILES for acetyl-tris(1-hydroxyethyl)azanium is CC(=O)[N+](C(C)O)(C(C)O)C(C)O.
What is the InChIKey of acetyl-tris(1-hydroxyethyl)azanium?
The InChIKey is RZJZJAHFGVXZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO4/c1-5(10)9(6(2)11,7(3)12)8(4)13/h5-7,10-12H,1-4H3/q+1.
What are the key properties of acetyl-tris(1-hydroxyethyl)azanium?
acetyl-tris(1-hydroxyethyl)azanium has a molecular weight of 192.23 g/mol, XLogP of -0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-tris(1-hydroxyethyl)azanium is sourced from PubChem (CID 87848379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).