2-(3-ethylhexoxy)thiophene

C12H20OS — CID 146171347

IUPAC2-(3-ethylhexoxy)thiophene
SMILESCCCC(CC)CCOc1cccs1
InChIInChI=1S/C12H20OS/c1-3-6-11(4-2)8-9-13-12-7-5-10-14-12/h5,7,10-11H,3-4,6,8-9H2,1-2H3
InChIKeyCUEOMLFLRACEGT-UHFFFAOYSA-N
MW212.36 g/mol
LogP4.34
Rot. Bonds7

About 2-(3-ethylhexoxy)thiophene

2-(3-ethylhexoxy)thiophene (PubChem CID 146171347) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-(3-ethylhexoxy)thiophene.

Molecular Properties

Compound Name2-(3-ethylhexoxy)thiophene
PubChem CID146171347
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name2-(3-ethylhexoxy)thiophene
SMILESCCCC(CC)CCOc1cccs1
InChIInChI=1S/C12H20OS/c1-3-6-11(4-2)8-9-13-12-7-5-10-14-12/h5,7,10-11H,3-4,6,8-9H2,1-2H3
InChIKeyCUEOMLFLRACEGT-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylhexoxy)thiophene?
The IUPAC name of 2-(3-ethylhexoxy)thiophene (CID 146171347) is 2-(3-ethylhexoxy)thiophene.
What is the SMILES notation for 2-(3-ethylhexoxy)thiophene?
The canonical SMILES for 2-(3-ethylhexoxy)thiophene is CCCC(CC)CCOc1cccs1.
What is the InChIKey of 2-(3-ethylhexoxy)thiophene?
The InChIKey is CUEOMLFLRACEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-3-6-11(4-2)8-9-13-12-7-5-10-14-12/h5,7,10-11H,3-4,6,8-9H2,1-2H3.
What are the key properties of 2-(3-ethylhexoxy)thiophene?
2-(3-ethylhexoxy)thiophene has a molecular weight of 212.36 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylhexoxy)thiophene is sourced from PubChem (CID 146171347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).