ethyl acetate;hydrochloride;hydroiodide

C4H10ClIO2 — CID 174371987

IUPACethyl acetate;hydrochloride;hydroiodide
SMILESCCOC(C)=O.Cl.I
InChIInChI=1S/C4H8O2.ClH.HI/c1-3-6-4(2)5;;/h3H2,1-2H3;2*1H
InChIKeyUUNLPOJXCBKQFU-UHFFFAOYSA-N
MW252.48 g/mol
LogP1.61
Rot. Bonds1

About ethyl acetate;hydrochloride;hydroiodide

ethyl acetate;hydrochloride;hydroiodide (PubChem CID 174371987) has the molecular formula C4H10ClIO2 and a molecular weight of 252.48 g/mol. Its IUPAC name is ethyl acetate;hydrochloride;hydroiodide.

Molecular Properties

Compound Nameethyl acetate;hydrochloride;hydroiodide
PubChem CID174371987
Molecular FormulaC4H10ClIO2
Molecular Weight252.48 g/mol
Exact Mass251.94
IUPAC Nameethyl acetate;hydrochloride;hydroiodide
SMILESCCOC(C)=O.Cl.I
InChIInChI=1S/C4H8O2.ClH.HI/c1-3-6-4(2)5;;/h3H2,1-2H3;2*1H
InChIKeyUUNLPOJXCBKQFU-UHFFFAOYSA-N
XLogP1.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.48
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethyl acetate;hydroiodide
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ethyl acetate;methanol
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ethyl acetate;methanol
CID 173278723
ethyl acetate;octacontahydrate
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ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;octacontahydrate
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CID 157409555
CID 157409555

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;hydrochloride;hydroiodide?
The IUPAC name of ethyl acetate;hydrochloride;hydroiodide (CID 174371987) is ethyl acetate;hydrochloride;hydroiodide.
What is the SMILES notation for ethyl acetate;hydrochloride;hydroiodide?
The canonical SMILES for ethyl acetate;hydrochloride;hydroiodide is CCOC(C)=O.Cl.I.
What is the InChIKey of ethyl acetate;hydrochloride;hydroiodide?
The InChIKey is UUNLPOJXCBKQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.ClH.HI/c1-3-6-4(2)5;;/h3H2,1-2H3;2*1H.
What are the key properties of ethyl acetate;hydrochloride;hydroiodide?
ethyl acetate;hydrochloride;hydroiodide has a molecular weight of 252.48 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;hydrochloride;hydroiodide is sourced from PubChem (CID 174371987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).