ethoxyethane;dihydrochloride

C4H12Cl2O — CID 19848039

IUPACethoxyethane;dihydrochloride
SMILESCCOCC.Cl.Cl
InChIInChI=1S/C4H10O.2ClH/c1-3-5-4-2;;/h3-4H2,1-2H3;2*1H
InChIKeyNRDHIACOBGNXHY-UHFFFAOYSA-N
MW147.05 g/mol
LogP1.89
Rot. Bonds2

About ethoxyethane;dihydrochloride

ethoxyethane;dihydrochloride (PubChem CID 19848039) has the molecular formula C4H12Cl2O and a molecular weight of 147.05 g/mol. Its IUPAC name is ethoxyethane;dihydrochloride.

Molecular Properties

Compound Nameethoxyethane;dihydrochloride
PubChem CID19848039
Molecular FormulaC4H12Cl2O
Molecular Weight147.05 g/mol
Exact Mass146.03
IUPAC Nameethoxyethane;dihydrochloride
SMILESCCOCC.Cl.Cl
InChIInChI=1S/C4H10O.2ClH/c1-3-5-4-2;;/h3-4H2,1-2H3;2*1H
InChIKeyNRDHIACOBGNXHY-UHFFFAOYSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.05
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;dihydrochloride?
The IUPAC name of ethoxyethane;dihydrochloride (CID 19848039) is ethoxyethane;dihydrochloride.
What is the SMILES notation for ethoxyethane;dihydrochloride?
The canonical SMILES for ethoxyethane;dihydrochloride is CCOCC.Cl.Cl.
What is the InChIKey of ethoxyethane;dihydrochloride?
The InChIKey is NRDHIACOBGNXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.2ClH/c1-3-5-4-2;;/h3-4H2,1-2H3;2*1H.
What are the key properties of ethoxyethane;dihydrochloride?
ethoxyethane;dihydrochloride has a molecular weight of 147.05 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;dihydrochloride is sourced from PubChem (CID 19848039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).