5-tert-butyl-2,3-dimethoxythiophene

C10H16O2S — CID 146379266

IUPAC5-tert-butyl-2,3-dimethoxythiophene
SMILESCOc1cc(C(C)(C)C)sc1OC
InChIInChI=1S/C10H16O2S/c1-10(2,3)8-6-7(11-4)9(12-5)13-8/h6H,1-5H3
InChIKeyUEFIRHQJJJRTQO-UHFFFAOYSA-N
MW200.30 g/mol
LogP3.06
Rot. Bonds2

About 5-tert-butyl-2,3-dimethoxythiophene

5-tert-butyl-2,3-dimethoxythiophene (PubChem CID 146379266) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dimethoxythiophene.

Molecular Properties

Compound Name5-tert-butyl-2,3-dimethoxythiophene
PubChem CID146379266
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name5-tert-butyl-2,3-dimethoxythiophene
SMILESCOc1cc(C(C)(C)C)sc1OC
InChIInChI=1S/C10H16O2S/c1-10(2,3)8-6-7(11-4)9(12-5)13-8/h6H,1-5H3
InChIKeyUEFIRHQJJJRTQO-UHFFFAOYSA-N
XLogP3.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dimethoxythiophene?
The IUPAC name of 5-tert-butyl-2,3-dimethoxythiophene (CID 146379266) is 5-tert-butyl-2,3-dimethoxythiophene.
What is the SMILES notation for 5-tert-butyl-2,3-dimethoxythiophene?
The canonical SMILES for 5-tert-butyl-2,3-dimethoxythiophene is COc1cc(C(C)(C)C)sc1OC.
What is the InChIKey of 5-tert-butyl-2,3-dimethoxythiophene?
The InChIKey is UEFIRHQJJJRTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-10(2,3)8-6-7(11-4)9(12-5)13-8/h6H,1-5H3.
What are the key properties of 5-tert-butyl-2,3-dimethoxythiophene?
5-tert-butyl-2,3-dimethoxythiophene has a molecular weight of 200.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dimethoxythiophene is sourced from PubChem (CID 146379266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).