ethoxyethane;ethyl acetate;hydrate

C8H20O4 — CID 86649789

IUPACethoxyethane;ethyl acetate;hydrate
SMILESCCOC(C)=O.CCOCC.O
InChIInChI=1S/C4H8O2.C4H10O.H2O/c1-3-6-4(2)5;1-3-5-4-2;/h3H2,1-2H3;3-4H2,1-2H3;1H2
InChIKeyCONFGKNUCMVDPT-UHFFFAOYSA-N
MW180.24 g/mol
LogP0.79
Rot. Bonds3

About ethoxyethane;ethyl acetate;hydrate

ethoxyethane;ethyl acetate;hydrate (PubChem CID 86649789) has the molecular formula C8H20O4 and a molecular weight of 180.24 g/mol. Its IUPAC name is ethoxyethane;ethyl acetate;hydrate.

Molecular Properties

Compound Nameethoxyethane;ethyl acetate;hydrate
PubChem CID86649789
Molecular FormulaC8H20O4
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC Nameethoxyethane;ethyl acetate;hydrate
SMILESCCOC(C)=O.CCOCC.O
InChIInChI=1S/C4H8O2.C4H10O.H2O/c1-3-6-4(2)5;1-3-5-4-2;/h3H2,1-2H3;3-4H2,1-2H3;1H2
InChIKeyCONFGKNUCMVDPT-UHFFFAOYSA-N
XLogP0.79
TPSA67.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;ethyl acetate;hydrate?
The IUPAC name of ethoxyethane;ethyl acetate;hydrate (CID 86649789) is ethoxyethane;ethyl acetate;hydrate.
What is the SMILES notation for ethoxyethane;ethyl acetate;hydrate?
The canonical SMILES for ethoxyethane;ethyl acetate;hydrate is CCOC(C)=O.CCOCC.O.
What is the InChIKey of ethoxyethane;ethyl acetate;hydrate?
The InChIKey is CONFGKNUCMVDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C4H10O.H2O/c1-3-6-4(2)5;1-3-5-4-2;/h3H2,1-2H3;3-4H2,1-2H3;1H2.
What are the key properties of ethoxyethane;ethyl acetate;hydrate?
ethoxyethane;ethyl acetate;hydrate has a molecular weight of 180.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;ethyl acetate;hydrate is sourced from PubChem (CID 86649789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).