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

C10H20O4 — CID 104563962

IUPAC1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one
SMILESCCCC(=O)COCCOCCOC
InChIInChI=1S/C10H20O4/c1-3-4-10(11)9-14-8-7-13-6-5-12-2/h3-9H2,1-2H3
InChIKeyYQMMQWUMXRBTDK-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.04
Rot. Bonds10

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

1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one (PubChem CID 104563962) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one
PubChem CID104563962
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one
SMILESCCCC(=O)COCCOCCOC
InChIInChI=1S/C10H20O4/c1-3-4-10(11)9-14-8-7-13-6-5-12-2/h3-9H2,1-2H3
InChIKeyYQMMQWUMXRBTDK-UHFFFAOYSA-N
XLogP1.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.04
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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Related Compounds

1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 89328911
1,3-bis(2-methoxyethoxy)propan-2-one
CID 14893271
1-(2-methoxyethoxy)-4-sulfanylbutan-2-one
CID 159103508
1-[2-(2-methylpropoxy)ethoxy]pentan-2-one
CID 106448350
1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one
CID 58143519
N-ethyl-2-[2-(2-oxopentoxy)ethoxy]acetamide
CID 157484818
1-[2-[2-(2-methylbutan-2-ylamino)ethoxy]ethoxy]pentan-2-one
CID 166946062
1-(2-methoxyethoxy)heptan-3-one
CID 102927335
1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one
CID 107508246
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
1,4-dioctoxybutan-2-one
CID 71375550

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one (CID 104563962) is 1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one is CCCC(=O)COCCOCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one?
The InChIKey is YQMMQWUMXRBTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-3-4-10(11)9-14-8-7-13-6-5-12-2/h3-9H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one?
1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.04, 10 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]pentan-2-one is sourced from PubChem (CID 104563962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).