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

C11H22O5 — CID 71329199

IUPAC4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
SMILESCOCCOCCOCCOCCC(C)=O
InChIInChI=1S/C11H22O5/c1-11(12)3-4-14-7-8-16-10-9-15-6-5-13-2/h3-10H2,1-2H3
InChIKeyXBIYUFMSBJBYKL-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.66
Rot. Bonds12

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

4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one (PubChem CID 71329199) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one.

Molecular Properties

Compound Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
PubChem CID71329199
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one
SMILESCOCCOCCOCCOCCC(C)=O
InChIInChI=1S/C11H22O5/c1-11(12)3-4-14-7-8-16-10-9-15-6-5-13-2/h3-10H2,1-2H3
InChIKeyXBIYUFMSBJBYKL-UHFFFAOYSA-N
XLogP0.66
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.66
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-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 153276611
4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one
CID 59109167
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 161208459
3-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 146640391
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
2-methoxy-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118668919
4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one
CID 59450621
4-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 90086925
4-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 170145054

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one?
The IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one (CID 71329199) is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one.
What is the SMILES notation for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one?
The canonical SMILES for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one is COCCOCCOCCOCCC(C)=O.
What is the InChIKey of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one?
The InChIKey is XBIYUFMSBJBYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-11(12)3-4-14-7-8-16-10-9-15-6-5-13-2/h3-10H2,1-2H3.
What are the key properties of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one?
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one has a molecular weight of 234.29 g/mol, XLogP of 0.66, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-one is sourced from PubChem (CID 71329199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).