2-(2-ethoxyethoxy)ethanol;propan-2-one

C9H20O4 — CID 158361782

IUPAC2-(2-ethoxyethoxy)ethanol;propan-2-one
SMILESCC(C)=O.CCOCCOCCO
InChIInChI=1S/C6H14O3.C3H6O/c1-2-8-5-6-9-4-3-7;1-3(2)4/h7H,2-6H2,1H3;1-2H3
InChIKeyGTODHHZOHLVPRK-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.63
Rot. Bonds6

About 2-(2-ethoxyethoxy)ethanol;propan-2-one

2-(2-ethoxyethoxy)ethanol;propan-2-one (PubChem CID 158361782) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethanol;propan-2-one.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethanol;propan-2-one
PubChem CID158361782
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-(2-ethoxyethoxy)ethanol;propan-2-one
SMILESCC(C)=O.CCOCCOCCO
InChIInChI=1S/C6H14O3.C3H6O/c1-2-8-5-6-9-4-3-7;1-3(2)4/h7H,2-6H2,1H3;1-2H3
InChIKeyGTODHHZOHLVPRK-UHFFFAOYSA-N
XLogP0.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one
CID 146319223
2-(2-ethoxyethoxy)ethanol;methanol
CID 87987109
bis(2-(2-ethoxyethoxy)ethanol);hydrate
CID 87793690
calcium;2-(2-ethoxyethoxy)ethanol;hydride
CID 174899431
ethane-1,2-diol;2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethanol;methoxymethane
CID 23133360
2-ethoxyethanol;ethyl acetate
CID 22463789
2-ethoxyethanol;silane
CID 173283937
2-ethoxyethanol;neodymium
CID 174490221
ethoxyethane;2-(2-hydroxyethoxy)ethanol;2-(2-methoxyethoxy)ethanol
CID 138488183
2-ethoxyethanol;propanoic acid
CID 71354268
ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane
CID 18993831
1-(2-ethoxyethoxy)propane;2-hydroxyethyl acetate
CID 90282040

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethanol;propan-2-one?
The IUPAC name of 2-(2-ethoxyethoxy)ethanol;propan-2-one (CID 158361782) is 2-(2-ethoxyethoxy)ethanol;propan-2-one.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethanol;propan-2-one?
The canonical SMILES for 2-(2-ethoxyethoxy)ethanol;propan-2-one is CC(C)=O.CCOCCOCCO.
What is the InChIKey of 2-(2-ethoxyethoxy)ethanol;propan-2-one?
The InChIKey is GTODHHZOHLVPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C3H6O/c1-2-8-5-6-9-4-3-7;1-3(2)4/h7H,2-6H2,1H3;1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)ethanol;propan-2-one?
2-(2-ethoxyethoxy)ethanol;propan-2-one has a molecular weight of 192.25 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethanol;propan-2-one is sourced from PubChem (CID 158361782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).