1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one

C10H20O5 — CID 107508246

IUPAC1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one
SMILESCOCCCOCCOCC(=O)COC
InChIInChI=1S/C10H20O5/c1-12-4-3-5-14-6-7-15-9-10(11)8-13-2/h3-9H2,1-2H3
InChIKeyVSAQMAMIVXKLPQ-UHFFFAOYSA-N
MW220.26 g/mol
LogP0.27
Rot. Bonds11

About 1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one

1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one (PubChem CID 107508246) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one
PubChem CID107508246
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one
SMILESCOCCCOCCOCC(=O)COC
InChIInChI=1S/C10H20O5/c1-12-4-3-5-14-6-7-15-9-10(11)8-13-2/h3-9H2,1-2H3
InChIKeyVSAQMAMIVXKLPQ-UHFFFAOYSA-N
XLogP0.27
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 50.27
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

1,3-bis(2-methoxyethoxy)propan-2-one
CID 14893271
2-[2-(3-methoxypropoxy)ethoxy]acetic acid
CID 54027919
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722
2-[2-(3-methoxypropoxy)ethoxy]-N-methylacetamide
CID 134579961
1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 89328911
2-[3-(4-methoxybutoxy)propoxy]acetamide
CID 142367848
1-(2-methoxyethoxy)-5-[2-(2-oxopropoxy)ethoxy]pentan-2-one
CID 58143519
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-(4-fluorophenyl)-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one
CID 103178973
1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one
CID 104563962
N-tert-butyl-2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]acetamide
CID 138656709
1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone
CID 103178926

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one?
The IUPAC name of 1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one (CID 107508246) is 1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one.
What is the SMILES notation for 1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one?
The canonical SMILES for 1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one is COCCCOCCOCC(=O)COC.
What is the InChIKey of 1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one?
The InChIKey is VSAQMAMIVXKLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5/c1-12-4-3-5-14-6-7-15-9-10(11)8-13-2/h3-9H2,1-2H3.
What are the key properties of 1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one?
1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one has a molecular weight of 220.26 g/mol, XLogP of 0.27, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one is sourced from PubChem (CID 107508246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).