dichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate

C5H18Cl3CuNO3 — CID 162014348

IUPACdichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate
SMILESC[N+](C)(C)CCO.Cl[Cu]Cl.O.O.[Cl-]
InChIInChI=1S/C5H14NO.3ClH.Cu.2H2O/c1-6(2,3)4-5-7;;;;;;/h7H,4-5H2,1-3H3;3*1H;;2*1H2/q+1;;;;+2;;/p-3
InChIKeyYTXACSNRKOUVRI-UHFFFAOYSA-K
MW310.11 g/mol
LogP-3.58
Rot. Bonds2

About dichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate

dichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate (PubChem CID 162014348) has the molecular formula C5H18Cl3CuNO3 and a molecular weight of 310.11 g/mol. Its IUPAC name is dichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate.

Molecular Properties

Compound Namedichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate
PubChem CID162014348
Molecular FormulaC5H18Cl3CuNO3
Molecular Weight310.11 g/mol
Exact Mass307.96
IUPAC Namedichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate
SMILESC[N+](C)(C)CCO.Cl[Cu]Cl.O.O.[Cl-]
InChIInChI=1S/C5H14NO.3ClH.Cu.2H2O/c1-6(2,3)4-5-7;;;;;;/h7H,4-5H2,1-3H3;3*1H;;2*1H2/q+1;;;;+2;;/p-3
InChIKeyYTXACSNRKOUVRI-UHFFFAOYSA-K
XLogP-3.58
TPSA83.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 5-3.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dichlorocopper;ethane-1,2-diol;2-hydroxyethyl(trimethyl)azanium;chloride
CID 174841294
2-hydroxyethyl(trimethyl)azanium;λ2-plumbane;chloride
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barium(2+);2-hydroxyethyl(trimethyl)azanium
CID 88662937
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455
2-hydroxyethyl(trimethyl)azanium;hydroxylamine
CID 86628599
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;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate?
The IUPAC name of dichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate (CID 162014348) is dichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate.
What is the SMILES notation for dichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate?
The canonical SMILES for dichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate is C[N+](C)(C)CCO.Cl[Cu]Cl.O.O.[Cl-].
What is the InChIKey of dichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate?
The InChIKey is YTXACSNRKOUVRI-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H14NO.3ClH.Cu.2H2O/c1-6(2,3)4-5-7;;;;;;/h7H,4-5H2,1-3H3;3*1H;;2*1H2/q+1;;;;+2;;/p-3.
What are the key properties of dichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate?
dichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate has a molecular weight of 310.11 g/mol, XLogP of -3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocopper;2-hydroxyethyl(trimethyl)azanium;chloride;dihydrate is sourced from PubChem (CID 162014348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).