1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one

C13H24O6 — CID 58143519

IUPAC1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one
SMILESCOCCOCC(=O)CCCOCCOCC(C)=O
InChIInChI=1S/C13H24O6/c1-12(14)10-18-9-8-17-5-3-4-13(15)11-19-7-6-16-2/h3-11H2,1-2H3
InChIKeyLZRZNDNLKOEQSK-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.62
Rot. Bonds14

About 1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one

1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one (PubChem CID 58143519) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one
PubChem CID58143519
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one
SMILESCOCCOCC(=O)CCCOCCOCC(C)=O
InChIInChI=1S/C13H24O6/c1-12(14)10-18-9-8-17-5-3-4-13(15)11-19-7-6-16-2/h3-11H2,1-2H3
InChIKeyLZRZNDNLKOEQSK-UHFFFAOYSA-N
XLogP0.62
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-methoxyethoxy)-4-sulfanylbutan-2-one
CID 159103508
1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one
CID 104563962
6-oxo-N-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethyl]octanamide
CID 58143549
1,3-bis(2-methoxyethoxy)propan-2-one
CID 14893271
1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one
CID 107508246
1-(2-oxopropoxy)decan-4-one
CID 158938156
4-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]butan-2-one
CID 59109167
8-(4-methylpiperazin-1-yl)-1-[2-(2-oxopropoxy)ethoxy]octan-4-one
CID 167559829
tert-butyl 4-[2-(2-oxopropoxy)ethoxy]butanoate
CID 158408428
1-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 142541911
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]butanamide
CID 122695577

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one?
The IUPAC name of 1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one (CID 58143519) is 1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one.
What is the SMILES notation for 1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one?
The canonical SMILES for 1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one is COCCOCC(=O)CCCOCCOCC(C)=O.
What is the InChIKey of 1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one?
The InChIKey is LZRZNDNLKOEQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-12(14)10-18-9-8-17-5-3-4-13(15)11-19-7-6-16-2/h3-11H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one?
1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one has a molecular weight of 276.33 g/mol, XLogP of 0.62, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one is sourced from PubChem (CID 58143519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).