4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one

C15H24O5S — CID 104563857

IUPAC4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
SMILESCOCCOCCOCCOCCCC(=O)c1cccs1
InChIInChI=1S/C15H24O5S/c1-17-7-8-19-11-12-20-10-9-18-6-2-4-14(16)15-5-3-13-21-15/h3,5,13H,2,4,6-12H2,1H3
InChIKeyZJZRWGCOMNBCFZ-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.41
Rot. Bonds14

About 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one

4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one (PubChem CID 104563857) has the molecular formula C15H24O5S and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
PubChem CID104563857
Molecular FormulaC15H24O5S
Molecular Weight316.42 g/mol
Exact Mass316.13
IUPAC Name4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
SMILESCOCCOCCOCCOCCCC(=O)c1cccs1
InChIInChI=1S/C15H24O5S/c1-17-7-8-19-11-12-20-10-9-18-6-2-4-14(16)15-5-3-13-21-15/h3,5,13H,2,4,6-12H2,1H3
InChIKeyZJZRWGCOMNBCFZ-UHFFFAOYSA-N
XLogP2.41
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.41
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

4-(2-propoxyethoxy)-1-thiophen-2-ylbutan-1-one
CID 63686952
4-pentoxy-1-thiophen-2-ylbutan-1-one
CID 43793850
4-(3-methoxypropylsulfanyl)-1-thiophen-2-ylbutan-1-one
CID 63856136
4-but-2-enoxy-1-thiophen-2-ylbutan-1-one
CID 76938202
4-pent-4-enoxy-1-thiophen-2-ylbutan-1-one
CID 79113092
2-(2-methoxyethoxy)ethyl thiophene-2-carboxylate
CID 174814348
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793680
1-thiophen-2-yl-4-(2,4,6-trimethylphenoxy)butan-1-one
CID 63567770
4-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-1-one
CID 62030031
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one?
The IUPAC name of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one (CID 104563857) is 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one?
The canonical SMILES for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one is COCCOCCOCCOCCCC(=O)c1cccs1.
What is the InChIKey of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one?
The InChIKey is ZJZRWGCOMNBCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5S/c1-17-7-8-19-11-12-20-10-9-18-6-2-4-14(16)15-5-3-13-21-15/h3,5,13H,2,4,6-12H2,1H3.
What are the key properties of 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one?
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one has a molecular weight of 316.42 g/mol, XLogP of 2.41, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 104563857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).