ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one

C11H26O5 — CID 146319223

IUPACethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one
SMILESCC(C)=O.CCOCC.OCCOCCO
InChIInChI=1S/C4H10O3.C4H10O.C3H6O/c5-1-3-7-4-2-6;1-3-5-4-2;1-3(2)4/h5-6H,1-4H2;3-4H2,1-2H3;1-2H3
InChIKeyGMWZKBIPOWFLSO-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.63
Rot. Bonds6

About ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one

ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one (PubChem CID 146319223) has the molecular formula C11H26O5 and a molecular weight of 238.32 g/mol. Its IUPAC name is ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one.

Molecular Properties

Compound Nameethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one
PubChem CID146319223
Molecular FormulaC11H26O5
Molecular Weight238.32 g/mol
Exact Mass238.18
IUPAC Nameethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one
SMILESCC(C)=O.CCOCC.OCCOCCO
InChIInChI=1S/C4H10O3.C4H10O.C3H6O/c5-1-3-7-4-2-6;1-3-5-4-2;1-3(2)4/h5-6H,1-4H2;3-4H2,1-2H3;1-2H3
InChIKeyGMWZKBIPOWFLSO-UHFFFAOYSA-N
XLogP0.63
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
ethoxyethane;2-(2-hydroxyethoxy)ethanol;2-(2-methoxyethoxy)ethanol
CID 138488183
ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane
CID 18993831
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
butyl acetate;ethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87066406
2-ethoxyethanol;ethyl acetate
CID 22463789
2-(2-ethoxyethoxy)ethanol;methanol
CID 87987109
bis(2-(2-ethoxyethoxy)ethanol);hydrate
CID 87793690
2-ethoxyethanol;silane
CID 173283937
2-ethoxyethanol;neodymium
CID 174490221
2-ethoxyethanol;propanoic acid
CID 71354268
ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide
CID 135223188

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one?
The IUPAC name of ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one (CID 146319223) is ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one.
What is the SMILES notation for ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one?
The canonical SMILES for ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one is CC(C)=O.CCOCC.OCCOCCO.
What is the InChIKey of ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one?
The InChIKey is GMWZKBIPOWFLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C4H10O.C3H6O/c5-1-3-7-4-2-6;1-3-5-4-2;1-3(2)4/h5-6H,1-4H2;3-4H2,1-2H3;1-2H3.
What are the key properties of ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one?
ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one has a molecular weight of 238.32 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one is sourced from PubChem (CID 146319223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).