ethyl acetate;pentahydrate

C8H26O9 — CID 173286699

IUPACethyl acetate;pentahydrate
SMILESCCOC(C)=O.CCOC(C)=O.O.O.O.O.O
InChIInChI=1S/2C4H8O2.5H2O/c2*1-3-6-4(2)5;;;;;/h2*3H2,1-2H3;5*1H2
InChIKeyWLOYIQLUJKPKSK-UHFFFAOYSA-N
MW266.29 g/mol
LogP-2.98
Rot. Bonds2

About ethyl acetate;pentahydrate

ethyl acetate;pentahydrate (PubChem CID 173286699) has the molecular formula C8H26O9 and a molecular weight of 266.29 g/mol. Its IUPAC name is ethyl acetate;pentahydrate.

Molecular Properties

Compound Nameethyl acetate;pentahydrate
PubChem CID173286699
Molecular FormulaC8H26O9
Molecular Weight266.29 g/mol
Exact Mass266.16
IUPAC Nameethyl acetate;pentahydrate
SMILESCCOC(C)=O.CCOC(C)=O.O.O.O.O.O
InChIInChI=1S/2C4H8O2.5H2O/c2*1-3-6-4(2)5;;;;;/h2*3H2,1-2H3;5*1H2
InChIKeyWLOYIQLUJKPKSK-UHFFFAOYSA-N
XLogP-2.98
TPSA210.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-2.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
ethyl acetate;tetrahydrate
CID 173019761
ethyl acetate;nickel;pentahydrate
CID 175168185
ethyl acetate;methanol;hydrate
CID 87229017
lithium;ethyl acetate;hydroxide;hydrate
CID 174848728
ethanol;ethyl acetate;hydrate
CID 86601158
sodium;ethyl acetate;hydroxide;hydrate
CID 174492243
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;methanol
CID 173029748

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;pentahydrate?
The IUPAC name of ethyl acetate;pentahydrate (CID 173286699) is ethyl acetate;pentahydrate.
What is the SMILES notation for ethyl acetate;pentahydrate?
The canonical SMILES for ethyl acetate;pentahydrate is CCOC(C)=O.CCOC(C)=O.O.O.O.O.O.
What is the InChIKey of ethyl acetate;pentahydrate?
The InChIKey is WLOYIQLUJKPKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O2.5H2O/c2*1-3-6-4(2)5;;;;;/h2*3H2,1-2H3;5*1H2.
What are the key properties of ethyl acetate;pentahydrate?
ethyl acetate;pentahydrate has a molecular weight of 266.29 g/mol, XLogP of -2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;pentahydrate is sourced from PubChem (CID 173286699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).