ethyl acetate;formic acid;propan-2-one;hydrochloride

C8H17ClO5 — CID 175279628

IUPACethyl acetate;formic acid;propan-2-one;hydrochloride
SMILESCC(C)=O.CCOC(C)=O.Cl.O=CO
InChIInChI=1S/C4H8O2.C3H6O.CH2O2.ClH/c1-3-6-4(2)5;1-3(2)4;2-1-3;/h3H2,1-2H3;1-2H3;1H,(H,2,3);1H
InChIKeyIEZLSKUVAHXWIV-UHFFFAOYSA-N
MW228.67 g/mol
LogP1.29
Rot. Bonds1

About ethyl acetate;formic acid;propan-2-one;hydrochloride

ethyl acetate;formic acid;propan-2-one;hydrochloride (PubChem CID 175279628) has the molecular formula C8H17ClO5 and a molecular weight of 228.67 g/mol. Its IUPAC name is ethyl acetate;formic acid;propan-2-one;hydrochloride.

Molecular Properties

Compound Nameethyl acetate;formic acid;propan-2-one;hydrochloride
PubChem CID175279628
Molecular FormulaC8H17ClO5
Molecular Weight228.67 g/mol
Exact Mass228.08
IUPAC Nameethyl acetate;formic acid;propan-2-one;hydrochloride
SMILESCC(C)=O.CCOC(C)=O.Cl.O=CO
InChIInChI=1S/C4H8O2.C3H6O.CH2O2.ClH/c1-3-6-4(2)5;1-3(2)4;2-1-3;/h3H2,1-2H3;1-2H3;1H,(H,2,3);1H
InChIKeyIEZLSKUVAHXWIV-UHFFFAOYSA-N
XLogP1.29
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;fluoroform;formic acid;methanol
CID 174054036
ethyl acetate;hydrochloride;hydroiodide
CID 174371987
chloroform;ethanol;ethyl acetate;formic acid
CID 174532770
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

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;formic acid;propan-2-one;hydrochloride?
The IUPAC name of ethyl acetate;formic acid;propan-2-one;hydrochloride (CID 175279628) is ethyl acetate;formic acid;propan-2-one;hydrochloride.
What is the SMILES notation for ethyl acetate;formic acid;propan-2-one;hydrochloride?
The canonical SMILES for ethyl acetate;formic acid;propan-2-one;hydrochloride is CC(C)=O.CCOC(C)=O.Cl.O=CO.
What is the InChIKey of ethyl acetate;formic acid;propan-2-one;hydrochloride?
The InChIKey is IEZLSKUVAHXWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H6O.CH2O2.ClH/c1-3-6-4(2)5;1-3(2)4;2-1-3;/h3H2,1-2H3;1-2H3;1H,(H,2,3);1H.
What are the key properties of ethyl acetate;formic acid;propan-2-one;hydrochloride?
ethyl acetate;formic acid;propan-2-one;hydrochloride has a molecular weight of 228.67 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;formic acid;propan-2-one;hydrochloride is sourced from PubChem (CID 175279628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).