3-(2-ethylhexyl)thiophene

C12H20S — CID 14419543

IUPAC3-(2-ethylhexyl)thiophene
SMILESCCCCC(CC)Cc1ccsc1
InChIInChI=1S/C12H20S/c1-3-5-6-11(4-2)9-12-7-8-13-10-12/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyHWMQCIZYXLAJKM-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.51
Rot. Bonds6

About 3-(2-ethylhexyl)thiophene

3-(2-ethylhexyl)thiophene (PubChem CID 14419543) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 3-(2-ethylhexyl)thiophene.

Molecular Properties

Compound Name3-(2-ethylhexyl)thiophene
PubChem CID14419543
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name3-(2-ethylhexyl)thiophene
SMILESCCCCC(CC)Cc1ccsc1
InChIInChI=1S/C12H20S/c1-3-5-6-11(4-2)9-12-7-8-13-10-12/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyHWMQCIZYXLAJKM-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexyl)thiophene?
The IUPAC name of 3-(2-ethylhexyl)thiophene (CID 14419543) is 3-(2-ethylhexyl)thiophene.
What is the SMILES notation for 3-(2-ethylhexyl)thiophene?
The canonical SMILES for 3-(2-ethylhexyl)thiophene is CCCCC(CC)Cc1ccsc1.
What is the InChIKey of 3-(2-ethylhexyl)thiophene?
The InChIKey is HWMQCIZYXLAJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-3-5-6-11(4-2)9-12-7-8-13-10-12/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 3-(2-ethylhexyl)thiophene?
3-(2-ethylhexyl)thiophene has a molecular weight of 196.36 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexyl)thiophene is sourced from PubChem (CID 14419543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).