2-[2-(2-methoxyethoxy)ethyl]thiophene

C9H14O2S — CID 90150503

IUPAC2-[2-(2-methoxyethoxy)ethyl]thiophene
SMILESCOCCOCCc1cccs1
InChIInChI=1S/C9H14O2S/c1-10-6-7-11-5-4-9-3-2-8-12-9/h2-3,8H,4-7H2,1H3
InChIKeyVROBDDVBTPHFOL-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.95
Rot. Bonds6

About 2-[2-(2-methoxyethoxy)ethyl]thiophene

2-[2-(2-methoxyethoxy)ethyl]thiophene (PubChem CID 90150503) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]thiophene.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]thiophene
PubChem CID90150503
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]thiophene
SMILESCOCCOCCc1cccs1
InChIInChI=1S/C9H14O2S/c1-10-6-7-11-5-4-9-3-2-8-12-9/h2-3,8H,4-7H2,1H3
InChIKeyVROBDDVBTPHFOL-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]thiophene?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]thiophene (CID 90150503) is 2-[2-(2-methoxyethoxy)ethyl]thiophene.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]thiophene?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]thiophene is COCCOCCc1cccs1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]thiophene?
The InChIKey is VROBDDVBTPHFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c1-10-6-7-11-5-4-9-3-2-8-12-9/h2-3,8H,4-7H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]thiophene?
2-[2-(2-methoxyethoxy)ethyl]thiophene has a molecular weight of 186.28 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]thiophene is sourced from PubChem (CID 90150503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).