dichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride

C7H20Cl3CuNO3 — CID 174841294

IUPACdichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride
SMILESC[N+](C)(C)CCO.Cl[Cu]Cl.OCCO.[Cl-]
InChIInChI=1S/C5H14NO.C2H6O2.3ClH.Cu/c1-6(2,3)4-5-7;3-1-2-4;;;;/h7H,4-5H2,1-3H3;3-4H,1-2H2;3*1H;/q+1;;;;;+2/p-3
InChIKeyWALJJGGEHDWTPO-UHFFFAOYSA-K
MW336.15 g/mol
LogP-2.96
Rot. Bonds3

About dichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride

dichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride (PubChem CID 174841294) has the molecular formula C7H20Cl3CuNO3 and a molecular weight of 336.15 g/mol. Its IUPAC name is dichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride.

Molecular Properties

Compound Namedichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride
PubChem CID174841294
Molecular FormulaC7H20Cl3CuNO3
Molecular Weight336.15 g/mol
Exact Mass333.98
IUPAC Namedichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride
SMILESC[N+](C)(C)CCO.Cl[Cu]Cl.OCCO.[Cl-]
InChIInChI=1S/C5H14NO.C2H6O2.3ClH.Cu/c1-6(2,3)4-5-7;3-1-2-4;;;;/h7H,4-5H2,1-3H3;3-4H,1-2H2;3*1H;/q+1;;;;;+2/p-3
InChIKeyWALJJGGEHDWTPO-UHFFFAOYSA-K
XLogP-2.96
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 5-2.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate
CID 162014348
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
CID 174998407
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
selanium 2-hydroxyethyl(trimethyl)azanium
CID 57348093
copper 2-hydroxyethyl(trimethyl)azanium
CID 89239745
2-hydroxyethyl(trimethyl)azanium;trimethylazanium;dichloride
CID 177256523
2-hydroxyethyl(trimethyl)azanium;bromide;dihydrobromide
CID 173388257
2-hydroxyethyl(trimethyl)azanium;hydrochloride;dihydroiodide
CID 175143989
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
boric acid;butane-1,4-diol;2-hydroxyethyl(trimethyl)azanium;chloride
CID 175230989

Frequently Asked Questions

What is the IUPAC name of dichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride?
The IUPAC name of dichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride (CID 174841294) is dichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride.
What is the SMILES notation for dichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride?
The canonical SMILES for dichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride is C[N+](C)(C)CCO.Cl[Cu]Cl.OCCO.[Cl-].
What is the InChIKey of dichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride?
The InChIKey is WALJJGGEHDWTPO-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H14NO.C2H6O2.3ClH.Cu/c1-6(2,3)4-5-7;3-1-2-4;;;;/h7H,4-5H2,1-3H3;3-4H,1-2H2;3*1H;/q+1;;;;;+2/p-3.
What are the key properties of dichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride?
dichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride has a molecular weight of 336.15 g/mol, XLogP of -2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride is sourced from PubChem (CID 174841294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).