ethoxyethane;hydrochloride

C4H11ClO — CID 10953452

IUPACethoxyethane;hydrochloride
SMILESCCOCC.Cl
InChIInChI=1S/C4H10O.ClH/c1-3-5-4-2;/h3-4H2,1-2H3;1H
InChIKeyLBAQSKZHMLAFHH-UHFFFAOYSA-N
MW110.58 g/mol
LogP1.46
Rot. Bonds2

About ethoxyethane;hydrochloride

ethoxyethane;hydrochloride (PubChem CID 10953452) has the molecular formula C4H11ClO and a molecular weight of 110.58 g/mol. Its IUPAC name is ethoxyethane;hydrochloride.

Molecular Properties

Compound Nameethoxyethane;hydrochloride
PubChem CID10953452
Molecular FormulaC4H11ClO
Molecular Weight110.58 g/mol
Exact Mass110.05
IUPAC Nameethoxyethane;hydrochloride
SMILESCCOCC.Cl
InChIInChI=1S/C4H10O.ClH/c1-3-5-4-2;/h3-4H2,1-2H3;1H
InChIKeyLBAQSKZHMLAFHH-UHFFFAOYSA-N
XLogP1.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.58
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;hydrochloride?
The IUPAC name of ethoxyethane;hydrochloride (CID 10953452) is ethoxyethane;hydrochloride.
What is the SMILES notation for ethoxyethane;hydrochloride?
The canonical SMILES for ethoxyethane;hydrochloride is CCOCC.Cl.
What is the InChIKey of ethoxyethane;hydrochloride?
The InChIKey is LBAQSKZHMLAFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.ClH/c1-3-5-4-2;/h3-4H2,1-2H3;1H.
What are the key properties of ethoxyethane;hydrochloride?
ethoxyethane;hydrochloride has a molecular weight of 110.58 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;hydrochloride is sourced from PubChem (CID 10953452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).