ethoxyethane;hydrate

C8H22O3 — CID 22594236

IUPACethoxyethane;hydrate
SMILESCCOCC.CCOCC.O
InChIInChI=1S/2C4H10O.H2O/c2*1-3-5-4-2;/h2*3-4H2,1-2H3;1H2
InChIKeyGRIRUKMGLDLQFE-UHFFFAOYSA-N
MW166.26 g/mol
LogP1.26
Rot. Bonds4

About ethoxyethane;hydrate

ethoxyethane;hydrate (PubChem CID 22594236) has the molecular formula C8H22O3 and a molecular weight of 166.26 g/mol. Its IUPAC name is ethoxyethane;hydrate.

Molecular Properties

Compound Nameethoxyethane;hydrate
PubChem CID22594236
Molecular FormulaC8H22O3
Molecular Weight166.26 g/mol
Exact Mass166.16
IUPAC Nameethoxyethane;hydrate
SMILESCCOCC.CCOCC.O
InChIInChI=1S/2C4H10O.H2O/c2*1-3-5-4-2;/h2*3-4H2,1-2H3;1H2
InChIKeyGRIRUKMGLDLQFE-UHFFFAOYSA-N
XLogP1.26
TPSA49.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethoxyethane;pentahydrate
CID 141041283
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;sulfane
CID 90240371
ethoxyethane;sulfane
CID 87243372
disodium;ethoxyethane
CID 23107014
CID 135083812
CID 135083812
ethoxyethane;molybdenum;tetrahydrochloride
CID 174873486
aluminum;ethoxyethane;triiodide
CID 173390625
strontium;ethoxyethane;hydride
CID 174808757
ethoxyethane;molecular nitrogen
CID 86758381
lithium;ethoxyethane;chloride
CID 175344978

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;hydrate?
The IUPAC name of ethoxyethane;hydrate (CID 22594236) is ethoxyethane;hydrate.
What is the SMILES notation for ethoxyethane;hydrate?
The canonical SMILES for ethoxyethane;hydrate is CCOCC.CCOCC.O.
What is the InChIKey of ethoxyethane;hydrate?
The InChIKey is GRIRUKMGLDLQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O.H2O/c2*1-3-5-4-2;/h2*3-4H2,1-2H3;1H2.
What are the key properties of ethoxyethane;hydrate?
ethoxyethane;hydrate has a molecular weight of 166.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;hydrate is sourced from PubChem (CID 22594236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).