1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone

C13H24O4 — CID 103178926

IUPAC1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone
SMILESCOCCCOCCOCC(=O)C1CCCC1
InChIInChI=1S/C13H24O4/c1-15-7-4-8-16-9-10-17-11-13(14)12-5-2-3-6-12/h12H,2-11H2,1H3
InChIKeyJELIYADGNCSQOU-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.82
Rot. Bonds10

About 1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone

1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone (PubChem CID 103178926) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone
PubChem CID103178926
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone
SMILESCOCCCOCCOCC(=O)C1CCCC1
InChIInChI=1S/C13H24O4/c1-15-7-4-8-16-9-10-17-11-13(14)12-5-2-3-6-12/h12H,2-11H2,1H3
InChIKeyJELIYADGNCSQOU-UHFFFAOYSA-N
XLogP1.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.82
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-cyclopentyl-2-octoxyethanone
CID 104751834
1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone
CID 106448351
2-[2-(3-methoxypropoxy)ethoxy]acetic acid
CID 54027919
2-[2-(3-methoxypropoxy)ethoxy]-N-methylacetamide
CID 134579961
1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 169158833
1-methoxy-3-[2-(3-methoxypropoxy)ethoxy]propan-2-one
CID 107508246
N-(2-methoxyethoxy)cyclohexanecarboxamide
CID 79675541
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722
1-cyclohexyl-2-[2-methoxyethyl(3-methoxypropyl)amino]ethanone
CID 104750189
1-cyclopentyl-2-(3-methoxypropylsulfonyl)ethanone
CID 104756176
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
2-[3-(4-methoxybutoxy)propoxy]acetamide
CID 142367848

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone?
The IUPAC name of 1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone (CID 103178926) is 1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone.
What is the SMILES notation for 1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone?
The canonical SMILES for 1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone is COCCCOCCOCC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone?
The InChIKey is JELIYADGNCSQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-15-7-4-8-16-9-10-17-11-13(14)12-5-2-3-6-12/h12H,2-11H2,1H3.
What are the key properties of 1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone?
1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone has a molecular weight of 244.33 g/mol, XLogP of 1.82, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone is sourced from PubChem (CID 103178926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).