ethyl acetate;trihydrochloride

C4H11Cl3O2 — CID 141039771

IUPACethyl acetate;trihydrochloride
SMILESCCOC(C)=O.Cl.Cl.Cl
InChIInChI=1S/C4H8O2.3ClH/c1-3-6-4(2)5;;;/h3H2,1-2H3;3*1H
InChIKeyPFEUZLFSGHADLO-UHFFFAOYSA-N
MW197.49 g/mol
LogP1.83
Rot. Bonds1

About ethyl acetate;trihydrochloride

ethyl acetate;trihydrochloride (PubChem CID 141039771) has the molecular formula C4H11Cl3O2 and a molecular weight of 197.49 g/mol. Its IUPAC name is ethyl acetate;trihydrochloride.

Molecular Properties

Compound Nameethyl acetate;trihydrochloride
PubChem CID141039771
Molecular FormulaC4H11Cl3O2
Molecular Weight197.49 g/mol
Exact Mass195.98
IUPAC Nameethyl acetate;trihydrochloride
SMILESCCOC(C)=O.Cl.Cl.Cl
InChIInChI=1S/C4H8O2.3ClH/c1-3-6-4(2)5;;;/h3H2,1-2H3;3*1H
InChIKeyPFEUZLFSGHADLO-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.49
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;hydrochloride;hydroiodide
CID 174371987
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;λ2-plumbane
CID 173068495
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;trihydrochloride?
The IUPAC name of ethyl acetate;trihydrochloride (CID 141039771) is ethyl acetate;trihydrochloride.
What is the SMILES notation for ethyl acetate;trihydrochloride?
The canonical SMILES for ethyl acetate;trihydrochloride is CCOC(C)=O.Cl.Cl.Cl.
What is the InChIKey of ethyl acetate;trihydrochloride?
The InChIKey is PFEUZLFSGHADLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.3ClH/c1-3-6-4(2)5;;;/h3H2,1-2H3;3*1H.
What are the key properties of ethyl acetate;trihydrochloride?
ethyl acetate;trihydrochloride has a molecular weight of 197.49 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;trihydrochloride is sourced from PubChem (CID 141039771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).