3,4-bis(2-ethylhexoxy)thiophene

C20H36O2S — CID 66900089

IUPAC3,4-bis(2-ethylhexoxy)thiophene
SMILESCCCCC(CC)COc1cscc1OCC(CC)CCCC
InChIInChI=1S/C20H36O2S/c1-5-9-11-17(7-3)13-21-19-15-23-16-20(19)22-14-18(8-4)12-10-6-2/h15-18H,5-14H2,1-4H3
InChIKeyGIVZWHXTULQQAZ-UHFFFAOYSA-N
MW340.57 g/mol
LogP6.94
Rot. Bonds14

About 3,4-bis(2-ethylhexoxy)thiophene

3,4-bis(2-ethylhexoxy)thiophene (PubChem CID 66900089) has the molecular formula C20H36O2S and a molecular weight of 340.57 g/mol. Its IUPAC name is 3,4-bis(2-ethylhexoxy)thiophene.

Molecular Properties

Compound Name3,4-bis(2-ethylhexoxy)thiophene
PubChem CID66900089
Molecular FormulaC20H36O2S
Molecular Weight340.57 g/mol
Exact Mass340.24
IUPAC Name3,4-bis(2-ethylhexoxy)thiophene
SMILESCCCCC(CC)COc1cscc1OCC(CC)CCCC
InChIInChI=1S/C20H36O2S/c1-5-9-11-17(7-3)13-21-19-15-23-16-20(19)22-14-18(8-4)12-10-6-2/h15-18H,5-14H2,1-4H3
InChIKeyGIVZWHXTULQQAZ-UHFFFAOYSA-N
XLogP6.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.57
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-ethylhexoxy)thiophene?
The IUPAC name of 3,4-bis(2-ethylhexoxy)thiophene (CID 66900089) is 3,4-bis(2-ethylhexoxy)thiophene.
What is the SMILES notation for 3,4-bis(2-ethylhexoxy)thiophene?
The canonical SMILES for 3,4-bis(2-ethylhexoxy)thiophene is CCCCC(CC)COc1cscc1OCC(CC)CCCC.
What is the InChIKey of 3,4-bis(2-ethylhexoxy)thiophene?
The InChIKey is GIVZWHXTULQQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2S/c1-5-9-11-17(7-3)13-21-19-15-23-16-20(19)22-14-18(8-4)12-10-6-2/h15-18H,5-14H2,1-4H3.
What are the key properties of 3,4-bis(2-ethylhexoxy)thiophene?
3,4-bis(2-ethylhexoxy)thiophene has a molecular weight of 340.57 g/mol, XLogP of 6.94, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-ethylhexoxy)thiophene is sourced from PubChem (CID 66900089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).