ethyl acetate;methanol

C160H480O120 — CID 173278723

IUPACethyl acetate;methanol
SMILESCCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO
InChIInChI=1S/20C4H8O2.80CH4O/c20*1-3-6-4(2)5;80*1-2/h20*3H2,1-2H3;80*2H,1H3
InChIKeyUULQPALUISPOGK-UHFFFAOYSA-N
MW4325.48 g/mol
LogP-19.93
Rot. Bonds20

About ethyl acetate;methanol

ethyl acetate;methanol (PubChem CID 173278723) has the molecular formula C160H480O120 and a molecular weight of 4325.48 g/mol. Its IUPAC name is ethyl acetate;methanol.

Molecular Properties

Compound Nameethyl acetate;methanol
PubChem CID173278723
Molecular FormulaC160H480O120
Molecular Weight4325.48 g/mol
Exact Mass4323.15
IUPAC Nameethyl acetate;methanol
SMILESCCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO
InChIInChI=1S/20C4H8O2.80CH4O/c20*1-3-6-4(2)5;80*1-2/h20*3H2,1-2H3;80*2H,1H3
InChIKeyUULQPALUISPOGK-UHFFFAOYSA-N
XLogP-19.93
TPSA2144.40 Ų
H-Bond Donors80
H-Bond Acceptors120
Rotatable Bonds20
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004325.48
LogP ≤ 5-19.93
H-Bond Donors ≤ 580
H-Bond Acceptors ≤ 10120

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol;hydrate
CID 87229017
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;trihydrochloride
CID 141039771
ethyl acetate;dihydrochloride
CID 21477582
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
CID 157409555
CID 157409555
ethyl acetate;pentahydrate
CID 173286699

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;methanol?
The IUPAC name of ethyl acetate;methanol (CID 173278723) is ethyl acetate;methanol.
What is the SMILES notation for ethyl acetate;methanol?
The canonical SMILES for ethyl acetate;methanol is CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.
What is the InChIKey of ethyl acetate;methanol?
The InChIKey is UULQPALUISPOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/20C4H8O2.80CH4O/c20*1-3-6-4(2)5;80*1-2/h20*3H2,1-2H3;80*2H,1H3.
What are the key properties of ethyl acetate;methanol?
ethyl acetate;methanol has a molecular weight of 4325.48 g/mol, XLogP of -19.93, 20 rotatable bonds, 80 hydrogen bond donors, and 120 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;methanol is sourced from PubChem (CID 173278723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).