2,5-di(butan-2-yl)-3,4-diethoxythiophene

C16H28O2S — CID 130412020

IUPAC2,5-di(butan-2-yl)-3,4-diethoxythiophene
SMILESCCOc1c(C(C)CC)sc(C(C)CC)c1OCC
InChIInChI=1S/C16H28O2S/c1-7-11(5)15-13(17-9-3)14(18-10-4)16(19-15)12(6)8-2/h11-12H,7-10H2,1-6H3
InChIKeyYJTJORLLARZEKL-UHFFFAOYSA-N
MW284.46 g/mol
LogP5.57
Rot. Bonds8

About 2,5-di(butan-2-yl)-3,4-diethoxythiophene

2,5-di(butan-2-yl)-3,4-diethoxythiophene (PubChem CID 130412020) has the molecular formula C16H28O2S and a molecular weight of 284.46 g/mol. Its IUPAC name is 2,5-di(butan-2-yl)-3,4-diethoxythiophene.

Molecular Properties

Compound Name2,5-di(butan-2-yl)-3,4-diethoxythiophene
PubChem CID130412020
Molecular FormulaC16H28O2S
Molecular Weight284.46 g/mol
Exact Mass284.18
IUPAC Name2,5-di(butan-2-yl)-3,4-diethoxythiophene
SMILESCCOc1c(C(C)CC)sc(C(C)CC)c1OCC
InChIInChI=1S/C16H28O2S/c1-7-11(5)15-13(17-9-3)14(18-10-4)16(19-15)12(6)8-2/h11-12H,7-10H2,1-6H3
InChIKeyYJTJORLLARZEKL-UHFFFAOYSA-N
XLogP5.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.46
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(butan-2-yl)-3,4-diethoxythiophene?
The IUPAC name of 2,5-di(butan-2-yl)-3,4-diethoxythiophene (CID 130412020) is 2,5-di(butan-2-yl)-3,4-diethoxythiophene.
What is the SMILES notation for 2,5-di(butan-2-yl)-3,4-diethoxythiophene?
The canonical SMILES for 2,5-di(butan-2-yl)-3,4-diethoxythiophene is CCOc1c(C(C)CC)sc(C(C)CC)c1OCC.
What is the InChIKey of 2,5-di(butan-2-yl)-3,4-diethoxythiophene?
The InChIKey is YJTJORLLARZEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2S/c1-7-11(5)15-13(17-9-3)14(18-10-4)16(19-15)12(6)8-2/h11-12H,7-10H2,1-6H3.
What are the key properties of 2,5-di(butan-2-yl)-3,4-diethoxythiophene?
2,5-di(butan-2-yl)-3,4-diethoxythiophene has a molecular weight of 284.46 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(butan-2-yl)-3,4-diethoxythiophene is sourced from PubChem (CID 130412020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).