ethoxyethane

C12H30O3 — CID 18694919

IUPACethoxyethane
SMILESCCOCC.CCOCC.CCOCC
InChIInChI=1S/3C4H10O/c3*1-3-5-4-2/h3*3-4H2,1-2H3
InChIKeyZLLACAKGCFUPPW-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.13
Rot. Bonds6

About ethoxyethane

ethoxyethane (PubChem CID 18694919) has the molecular formula C12H30O3 and a molecular weight of 222.37 g/mol. Its IUPAC name is ethoxyethane.

Molecular Properties

Compound Nameethoxyethane
PubChem CID18694919
Molecular FormulaC12H30O3
Molecular Weight222.37 g/mol
Exact Mass222.22
IUPAC Nameethoxyethane
SMILESCCOCC.CCOCC.CCOCC
InChIInChI=1S/3C4H10O/c3*1-3-5-4-2/h3*3-4H2,1-2H3
InChIKeyZLLACAKGCFUPPW-UHFFFAOYSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethoxyethane
CID 19002445
ethoxyethane;sulfane
CID 90240371
ethoxyethane;sulfane
CID 87243372
ethoxyethane;pentahydrate
CID 141041283
disodium;ethoxyethane
CID 23107014
ethoxyethane;hydrate
CID 22594236
ethoxyethane;molybdenum;tetrahydrochloride
CID 174873486
CID 135083812
CID 135083812
aluminum;ethoxyethane;triiodide
CID 173390625
strontium;ethoxyethane;hydride
CID 174808757
lithium;ethoxyethane;chloride
CID 175344978
ethoxyethane;molecular nitrogen
CID 86758381

Frequently Asked Questions

What is the IUPAC name of ethoxyethane?
The IUPAC name of ethoxyethane (CID 18694919) is ethoxyethane.
What is the SMILES notation for ethoxyethane?
The canonical SMILES for ethoxyethane is CCOCC.CCOCC.CCOCC.
What is the InChIKey of ethoxyethane?
The InChIKey is ZLLACAKGCFUPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10O/c3*1-3-5-4-2/h3*3-4H2,1-2H3.
What are the key properties of ethoxyethane?
ethoxyethane has a molecular weight of 222.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane is sourced from PubChem (CID 18694919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).