ethoxyethane;pentahydrate

C4H20O6 — CID 141041283

IUPACethoxyethane;pentahydrate
SMILESCCOCC.O.O.O.O.O
InChIInChI=1S/C4H10O.5H2O/c1-3-5-4-2;;;;;/h3-4H2,1-2H3;5*1H2
InChIKeyYLCQNNNGJXKNCH-UHFFFAOYSA-N
MW164.20 g/mol
LogP-3.08
Rot. Bonds2

About ethoxyethane;pentahydrate

ethoxyethane;pentahydrate (PubChem CID 141041283) has the molecular formula C4H20O6 and a molecular weight of 164.20 g/mol. Its IUPAC name is ethoxyethane;pentahydrate.

Molecular Properties

Compound Nameethoxyethane;pentahydrate
PubChem CID141041283
Molecular FormulaC4H20O6
Molecular Weight164.20 g/mol
Exact Mass164.13
IUPAC Nameethoxyethane;pentahydrate
SMILESCCOCC.O.O.O.O.O
InChIInChI=1S/C4H10O.5H2O/c1-3-5-4-2;;;;;/h3-4H2,1-2H3;5*1H2
InChIKeyYLCQNNNGJXKNCH-UHFFFAOYSA-N
XLogP-3.08
TPSA166.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-3.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethoxyethane;hydrate
CID 22594236
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
ethoxyethane;molecular nitrogen
CID 86758381
lithium;ethoxyethane;chloride
CID 175344978
strontium;ethoxyethane;hydride
CID 174808757

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;pentahydrate?
The IUPAC name of ethoxyethane;pentahydrate (CID 141041283) is ethoxyethane;pentahydrate.
What is the SMILES notation for ethoxyethane;pentahydrate?
The canonical SMILES for ethoxyethane;pentahydrate is CCOCC.O.O.O.O.O.
What is the InChIKey of ethoxyethane;pentahydrate?
The InChIKey is YLCQNNNGJXKNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.5H2O/c1-3-5-4-2;;;;;/h3-4H2,1-2H3;5*1H2.
What are the key properties of ethoxyethane;pentahydrate?
ethoxyethane;pentahydrate has a molecular weight of 164.20 g/mol, XLogP of -3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;pentahydrate is sourced from PubChem (CID 141041283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).