ethyl acetate;dihydrochloride

C4H10Cl2O2 — CID 21477582

IUPACethyl acetate;dihydrochloride
SMILESCCOC(C)=O.Cl.Cl
InChIInChI=1S/C4H8O2.2ClH/c1-3-6-4(2)5;;/h3H2,1-2H3;2*1H
InChIKeySPIAPGXEPHSJRU-UHFFFAOYSA-N
MW161.03 g/mol
LogP1.41
Rot. Bonds1

About ethyl acetate;dihydrochloride

ethyl acetate;dihydrochloride (PubChem CID 21477582) has the molecular formula C4H10Cl2O2 and a molecular weight of 161.03 g/mol. Its IUPAC name is ethyl acetate;dihydrochloride.

Molecular Properties

Compound Nameethyl acetate;dihydrochloride
PubChem CID21477582
Molecular FormulaC4H10Cl2O2
Molecular Weight161.03 g/mol
Exact Mass160.01
IUPAC Nameethyl acetate;dihydrochloride
SMILESCCOC(C)=O.Cl.Cl
InChIInChI=1S/C4H8O2.2ClH/c1-3-6-4(2)5;;/h3H2,1-2H3;2*1H
InChIKeySPIAPGXEPHSJRU-UHFFFAOYSA-N
XLogP1.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.03
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;hydrochloride;hydroiodide
CID 174371987
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
CID 157409555
CID 157409555

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;dihydrochloride?
The IUPAC name of ethyl acetate;dihydrochloride (CID 21477582) is ethyl acetate;dihydrochloride.
What is the SMILES notation for ethyl acetate;dihydrochloride?
The canonical SMILES for ethyl acetate;dihydrochloride is CCOC(C)=O.Cl.Cl.
What is the InChIKey of ethyl acetate;dihydrochloride?
The InChIKey is SPIAPGXEPHSJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.2ClH/c1-3-6-4(2)5;;/h3H2,1-2H3;2*1H.
What are the key properties of ethyl acetate;dihydrochloride?
ethyl acetate;dihydrochloride has a molecular weight of 161.03 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;dihydrochloride is sourced from PubChem (CID 21477582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).