ethanol;ethyl acetate;hydrate

C6H16O4 — CID 86601158

IUPACethanol;ethyl acetate;hydrate
SMILESCCO.CCOC(C)=O.O
InChIInChI=1S/C4H8O2.C2H6O.H2O/c1-3-6-4(2)5;1-2-3;/h3H2,1-2H3;3H,2H2,1H3;1H2
InChIKeyFMYHFHVAPZDDPJ-UHFFFAOYSA-N
MW152.19 g/mol
LogP-0.26
Rot. Bonds1

About ethanol;ethyl acetate;hydrate

ethanol;ethyl acetate;hydrate (PubChem CID 86601158) has the molecular formula C6H16O4 and a molecular weight of 152.19 g/mol. Its IUPAC name is ethanol;ethyl acetate;hydrate.

Molecular Properties

Compound Nameethanol;ethyl acetate;hydrate
PubChem CID86601158
Molecular FormulaC6H16O4
Molecular Weight152.19 g/mol
Exact Mass152.10
IUPAC Nameethanol;ethyl acetate;hydrate
SMILESCCO.CCOC(C)=O.O
InChIInChI=1S/C4H8O2.C2H6O.H2O/c1-3-6-4(2)5;1-2-3;/h3H2,1-2H3;3H,2H2,1H3;1H2
InChIKeyFMYHFHVAPZDDPJ-UHFFFAOYSA-N
XLogP-0.26
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
ethyl acetate;tetrahydrate
CID 173019761
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ethyl acetate;methanol;hydrate
CID 87229017
ethanol;ethyl acetate;hexane;hydrate
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CID 174848728
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CID 174492243

Frequently Asked Questions

What is the IUPAC name of ethanol;ethyl acetate;hydrate?
The IUPAC name of ethanol;ethyl acetate;hydrate (CID 86601158) is ethanol;ethyl acetate;hydrate.
What is the SMILES notation for ethanol;ethyl acetate;hydrate?
The canonical SMILES for ethanol;ethyl acetate;hydrate is CCO.CCOC(C)=O.O.
What is the InChIKey of ethanol;ethyl acetate;hydrate?
The InChIKey is FMYHFHVAPZDDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H6O.H2O/c1-3-6-4(2)5;1-2-3;/h3H2,1-2H3;3H,2H2,1H3;1H2.
What are the key properties of ethanol;ethyl acetate;hydrate?
ethanol;ethyl acetate;hydrate has a molecular weight of 152.19 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethyl acetate;hydrate is sourced from PubChem (CID 86601158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).