ethyl acetate;hydroiodide

C4H9IO2 — CID 159926796

IUPACethyl acetate;hydroiodide
SMILESCCOC(C)=O.I
InChIInChI=1S/C4H8O2.HI/c1-3-6-4(2)5;/h3H2,1-2H3;1H
InChIKeyHNXCXJWVOJMDPN-UHFFFAOYSA-N
MW216.02 g/mol
LogP1.19
Rot. Bonds1

About ethyl acetate;hydroiodide

ethyl acetate;hydroiodide (PubChem CID 159926796) has the molecular formula C4H9IO2 and a molecular weight of 216.02 g/mol. Its IUPAC name is ethyl acetate;hydroiodide.

Molecular Properties

Compound Nameethyl acetate;hydroiodide
PubChem CID159926796
Molecular FormulaC4H9IO2
Molecular Weight216.02 g/mol
Exact Mass215.96
IUPAC Nameethyl acetate;hydroiodide
SMILESCCOC(C)=O.I
InChIInChI=1S/C4H8O2.HI/c1-3-6-4(2)5;/h3H2,1-2H3;1H
InChIKeyHNXCXJWVOJMDPN-UHFFFAOYSA-N
XLogP1.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.02
LogP ≤ 51.19
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

ethyl acetate;hydrochloride;hydroiodide
CID 174371987
acetic acid;ethyl acetate;hydroiodide
CID 174390773
ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
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;hydroiodide?
The IUPAC name of ethyl acetate;hydroiodide (CID 159926796) is ethyl acetate;hydroiodide.
What is the SMILES notation for ethyl acetate;hydroiodide?
The canonical SMILES for ethyl acetate;hydroiodide is CCOC(C)=O.I.
What is the InChIKey of ethyl acetate;hydroiodide?
The InChIKey is HNXCXJWVOJMDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.HI/c1-3-6-4(2)5;/h3H2,1-2H3;1H.
What are the key properties of ethyl acetate;hydroiodide?
ethyl acetate;hydroiodide has a molecular weight of 216.02 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;hydroiodide is sourced from PubChem (CID 159926796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).