acetic acid;ethyl acetate;hydroiodide

C6H13IO4 — CID 174390773

IUPACacetic acid;ethyl acetate;hydroiodide
SMILESCC(=O)O.CCOC(C)=O.I
InChIInChI=1S/C4H8O2.C2H4O2.HI/c1-3-6-4(2)5;1-2(3)4;/h3H2,1-2H3;1H3,(H,3,4);1H
InChIKeyTZTAAVYZLSEYIQ-UHFFFAOYSA-N
MW276.07 g/mol
LogP1.28
Rot. Bonds1

About acetic acid;ethyl acetate;hydroiodide

acetic acid;ethyl acetate;hydroiodide (PubChem CID 174390773) has the molecular formula C6H13IO4 and a molecular weight of 276.07 g/mol. Its IUPAC name is acetic acid;ethyl acetate;hydroiodide.

Molecular Properties

Compound Nameacetic acid;ethyl acetate;hydroiodide
PubChem CID174390773
Molecular FormulaC6H13IO4
Molecular Weight276.07 g/mol
Exact Mass275.99
IUPAC Nameacetic acid;ethyl acetate;hydroiodide
SMILESCC(=O)O.CCOC(C)=O.I
InChIInChI=1S/C4H8O2.C2H4O2.HI/c1-3-6-4(2)5;1-2(3)4;/h3H2,1-2H3;1H3,(H,3,4);1H
InChIKeyTZTAAVYZLSEYIQ-UHFFFAOYSA-N
XLogP1.28
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;azane;ethyl acetate
CID 25050725
ethyl acetate;hydroiodide
CID 159926796
sodium;acetic acid;boranuide;ethyl acetate
CID 174143954
acetic acid;ethyl acetate;methanol;hydrate
CID 22501395
ethyl acetate;hydrochloride;hydroiodide
CID 174371987
acetic acid;ethyl acetate;propan-2-ol
CID 23298224
azane;carbonic acid;ethyl acetate
CID 175094152
ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl acetate;tetrahydrate
CID 173019761
ethyl acetate;λ2-plumbane
CID 173068495

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethyl acetate;hydroiodide?
The IUPAC name of acetic acid;ethyl acetate;hydroiodide (CID 174390773) is acetic acid;ethyl acetate;hydroiodide.
What is the SMILES notation for acetic acid;ethyl acetate;hydroiodide?
The canonical SMILES for acetic acid;ethyl acetate;hydroiodide is CC(=O)O.CCOC(C)=O.I.
What is the InChIKey of acetic acid;ethyl acetate;hydroiodide?
The InChIKey is TZTAAVYZLSEYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H4O2.HI/c1-3-6-4(2)5;1-2(3)4;/h3H2,1-2H3;1H3,(H,3,4);1H.
What are the key properties of acetic acid;ethyl acetate;hydroiodide?
acetic acid;ethyl acetate;hydroiodide has a molecular weight of 276.07 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethyl acetate;hydroiodide is sourced from PubChem (CID 174390773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).