2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxythiophene

C11H16OS — CID 147989570

IUPAC2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxythiophene
SMILESCOc1ccc(/C=C/C(C)(C)C)s1
InChIInChI=1S/C11H16OS/c1-11(2,3)8-7-9-5-6-10(12-4)13-9/h5-8H,1-4H3/b8-7+
InChIKeyIUUIXQREVZEXSM-BQYQJAHWSA-N
MW196.31 g/mol
LogP3.82
Rot. Bonds2

About 2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxythiophene

2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxythiophene (PubChem CID 147989570) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxythiophene.

Molecular Properties

Compound Name2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxythiophene
PubChem CID147989570
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxythiophene
SMILESCOc1ccc(/C=C/C(C)(C)C)s1
InChIInChI=1S/C11H16OS/c1-11(2,3)8-7-9-5-6-10(12-4)13-9/h5-8H,1-4H3/b8-7+
InChIKeyIUUIXQREVZEXSM-BQYQJAHWSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxythiophene?
The IUPAC name of 2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxythiophene (CID 147989570) is 2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxythiophene.
What is the SMILES notation for 2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxythiophene?
The canonical SMILES for 2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxythiophene is COc1ccc(/C=C/C(C)(C)C)s1.
What is the InChIKey of 2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxythiophene?
The InChIKey is IUUIXQREVZEXSM-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H16OS/c1-11(2,3)8-7-9-5-6-10(12-4)13-9/h5-8H,1-4H3/b8-7+.
What are the key properties of 2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxythiophene?
2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxythiophene has a molecular weight of 196.31 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxythiophene is sourced from PubChem (CID 147989570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).