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

C11H16S — CID 146324086

IUPAC3-[(E)-3,3-dimethylbut-1-enyl]-2-methylthiophene
SMILESCc1sccc1/C=C/C(C)(C)C
InChIInChI=1S/C11H16S/c1-9-10(6-8-12-9)5-7-11(2,3)4/h5-8H,1-4H3/b7-5+
InChIKeyZSYJTEHZLASUAR-FNORWQNLSA-N
MW180.32 g/mol
LogP4.12
Rot. Bonds1

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

3-[(E)-3,3-dimethylbut-1-enyl]-2-methylthiophene (PubChem CID 146324086) has the molecular formula C11H16S and a molecular weight of 180.32 g/mol. Its IUPAC name is 3-[(E)-3,3-dimethylbut-1-enyl]-2-methylthiophene.

Molecular Properties

Compound Name3-[(E)-3,3-dimethylbut-1-enyl]-2-methylthiophene
PubChem CID146324086
Molecular FormulaC11H16S
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name3-[(E)-3,3-dimethylbut-1-enyl]-2-methylthiophene
SMILESCc1sccc1/C=C/C(C)(C)C
InChIInChI=1S/C11H16S/c1-9-10(6-8-12-9)5-7-11(2,3)4/h5-8H,1-4H3/b7-5+
InChIKeyZSYJTEHZLASUAR-FNORWQNLSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(E)-3-chlorobut-1-enyl]-2-methylthiophene
CID 130581610
(E)-4-(2-methylthiophen-3-yl)but-3-en-1-amine
CID 102838741
4-methyl-1-(2-methylthiophen-3-yl)pent-1-en-3-one
CID 54416286
4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole
CID 142272163
ethyl 4-(2-methylthiophen-3-yl)but-3-enoate
CID 170795516
2-methyl-3-prop-2-enoxythiophene
CID 14964444
2,3-dimethylthiophene;ethane
CID 54075062
3-(2-methylthiophen-3-yl)prop-2-enoic acid;N-(2-sulfanylethyl)acetamide
CID 175239118
2-(3,3-dimethylbut-1-enyl)benzenesulfonamide
CID 157318662
1-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 22712636
2-methyl-N-[(2-methylthiophen-3-yl)methyl]propan-2-amine
CID 102832538
(2-methylthiophen-3-yl)hydrazine;hydrochloride
CID 67855858

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3,3-dimethylbut-1-enyl]-2-methylthiophene?
The IUPAC name of 3-[(E)-3,3-dimethylbut-1-enyl]-2-methylthiophene (CID 146324086) is 3-[(E)-3,3-dimethylbut-1-enyl]-2-methylthiophene.
What is the SMILES notation for 3-[(E)-3,3-dimethylbut-1-enyl]-2-methylthiophene?
The canonical SMILES for 3-[(E)-3,3-dimethylbut-1-enyl]-2-methylthiophene is Cc1sccc1/C=C/C(C)(C)C.
What is the InChIKey of 3-[(E)-3,3-dimethylbut-1-enyl]-2-methylthiophene?
The InChIKey is ZSYJTEHZLASUAR-FNORWQNLSA-N. The full InChI is InChI=1S/C11H16S/c1-9-10(6-8-12-9)5-7-11(2,3)4/h5-8H,1-4H3/b7-5+.
What are the key properties of 3-[(E)-3,3-dimethylbut-1-enyl]-2-methylthiophene?
3-[(E)-3,3-dimethylbut-1-enyl]-2-methylthiophene has a molecular weight of 180.32 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3,3-dimethylbut-1-enyl]-2-methylthiophene is sourced from PubChem (CID 146324086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).