1-[2-(2-methoxyethoxy)ethoxy]propan-2-one

C8H16O4 — CID 22961367

IUPAC1-[2-(2-methoxyethoxy)ethoxy]propan-2-one
SMILESCOCCOCCOCC(C)=O
InChIInChI=1S/C8H16O4/c1-8(9)7-12-6-5-11-4-3-10-2/h3-7H2,1-2H3
InChIKeyNYCRRRKBQMTWPL-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.25
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)ethoxy]propan-2-one

1-[2-(2-methoxyethoxy)ethoxy]propan-2-one (PubChem CID 22961367) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxy]propan-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxy]propan-2-one
PubChem CID22961367
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name1-[2-(2-methoxyethoxy)ethoxy]propan-2-one
SMILESCOCCOCCOCC(C)=O
InChIInChI=1S/C8H16O4/c1-8(9)7-12-6-5-11-4-3-10-2/h3-7H2,1-2H3
InChIKeyNYCRRRKBQMTWPL-UHFFFAOYSA-N
XLogP0.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]propan-2-one?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]propan-2-one (CID 22961367) is 1-[2-(2-methoxyethoxy)ethoxy]propan-2-one.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxy]propan-2-one?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxy]propan-2-one is COCCOCCOCC(C)=O.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxy]propan-2-one?
The InChIKey is NYCRRRKBQMTWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-8(9)7-12-6-5-11-4-3-10-2/h3-7H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxy]propan-2-one?
1-[2-(2-methoxyethoxy)ethoxy]propan-2-one has a molecular weight of 176.21 g/mol, XLogP of 0.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethoxy]propan-2-one is sourced from PubChem (CID 22961367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).