ethoxyethane;5-hydroxypentan-2-one

C9H20O3 — CID 22325863

IUPACethoxyethane;5-hydroxypentan-2-one
SMILESCC(=O)CCCO.CCOCC
InChIInChI=1S/C5H10O2.C4H10O/c1-5(7)3-2-4-6;1-3-5-4-2/h6H,2-4H2,1H3;3-4H2,1-2H3
InChIKeyKPARZQMHPMAPHL-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.39
Rot. Bonds5

About ethoxyethane;5-hydroxypentan-2-one

ethoxyethane;5-hydroxypentan-2-one (PubChem CID 22325863) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethoxyethane;5-hydroxypentan-2-one.

Molecular Properties

Compound Nameethoxyethane;5-hydroxypentan-2-one
PubChem CID22325863
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Nameethoxyethane;5-hydroxypentan-2-one
SMILESCC(=O)CCCO.CCOCC
InChIInChI=1S/C5H10O2.C4H10O/c1-5(7)3-2-4-6;1-3-5-4-2/h6H,2-4H2,1H3;3-4H2,1-2H3
InChIKeyKPARZQMHPMAPHL-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxypentan-2-one
CID 162230963
butan-1-ol;hexan-2-one
CID 20532115
21-hydroxyhenicosan-2-one
CID 153324955
19-hydroxynonadecan-2-one
CID 123829227
butan-1-ol;heptan-2-one
CID 87902708
butan-1-ol;ethoxyethane;ethyl acetate
CID 87367562
ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one
CID 146319223
ethene;9-hydroxynonan-2-one
CID 23344517
tris(ethane-1,2-diol);ethoxyethane
CID 173395808
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
ethane-1,2-diol;henicosan-2-one
CID 167612528
acetic acid;ethyl 4-hydroxybutanoate
CID 173148850

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;5-hydroxypentan-2-one?
The IUPAC name of ethoxyethane;5-hydroxypentan-2-one (CID 22325863) is ethoxyethane;5-hydroxypentan-2-one.
What is the SMILES notation for ethoxyethane;5-hydroxypentan-2-one?
The canonical SMILES for ethoxyethane;5-hydroxypentan-2-one is CC(=O)CCCO.CCOCC.
What is the InChIKey of ethoxyethane;5-hydroxypentan-2-one?
The InChIKey is KPARZQMHPMAPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C4H10O/c1-5(7)3-2-4-6;1-3-5-4-2/h6H,2-4H2,1H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;5-hydroxypentan-2-one?
ethoxyethane;5-hydroxypentan-2-one has a molecular weight of 176.26 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;5-hydroxypentan-2-one is sourced from PubChem (CID 22325863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).