4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one

C11H20O5 — CID 59109167

IUPAC4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one
SMILESCC(=O)CCOCCOCCOCC(C)=O
InChIInChI=1S/C11H20O5/c1-10(12)3-4-14-5-6-15-7-8-16-9-11(2)13/h3-9H2,1-2H3
InChIKeyVSTTXGVGNHDRBC-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.60
Rot. Bonds11

About 4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one

4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one (PubChem CID 59109167) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one.

Molecular Properties

Compound Name4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one
PubChem CID59109167
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one
SMILESCC(=O)CCOCCOCCOCC(C)=O
InChIInChI=1S/C11H20O5/c1-10(12)3-4-14-5-6-15-7-8-16-9-11(2)13/h3-9H2,1-2H3
InChIKeyVSTTXGVGNHDRBC-UHFFFAOYSA-N
XLogP0.60
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
CID 71329199
4-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 153276611
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
1-[2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 158591321
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
1-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 142541911
3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 146640391
prop-2-enyl 3-[2-(2-oxopropoxy)ethoxy]propanoate
CID 140916146
4-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 170145054
1-[2-(3,3-dimethylbutoxy)ethoxy]propan-2-one
CID 157295783
1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-one
CID 170040791
4-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 90086925

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one?
The IUPAC name of 4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one (CID 59109167) is 4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one.
What is the SMILES notation for 4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one?
The canonical SMILES for 4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one is CC(=O)CCOCCOCCOCC(C)=O.
What is the InChIKey of 4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one?
The InChIKey is VSTTXGVGNHDRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-10(12)3-4-14-5-6-15-7-8-16-9-11(2)13/h3-9H2,1-2H3.
What are the key properties of 4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one?
4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one has a molecular weight of 232.28 g/mol, XLogP of 0.60, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one is sourced from PubChem (CID 59109167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).