3-methyl-2-(3-methylbut-2-enyl)thiophene

C10H14S — CID 10942818

IUPAC3-methyl-2-(3-methylbut-2-enyl)thiophene
SMILESCC(C)=CCc1sccc1C
InChIInChI=1S/C10H14S/c1-8(2)4-5-10-9(3)6-7-11-10/h4,6-7H,5H2,1-3H3
InChIKeyCVIDZLCXVGUFAC-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.57
Rot. Bonds2

About 3-methyl-2-(3-methylbut-2-enyl)thiophene

3-methyl-2-(3-methylbut-2-enyl)thiophene (PubChem CID 10942818) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 3-methyl-2-(3-methylbut-2-enyl)thiophene.

Molecular Properties

Compound Name3-methyl-2-(3-methylbut-2-enyl)thiophene
PubChem CID10942818
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name3-methyl-2-(3-methylbut-2-enyl)thiophene
SMILESCC(C)=CCc1sccc1C
InChIInChI=1S/C10H14S/c1-8(2)4-5-10-9(3)6-7-11-10/h4,6-7H,5H2,1-3H3
InChIKeyCVIDZLCXVGUFAC-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylbut-2-enyl)thiophene?
The IUPAC name of 3-methyl-2-(3-methylbut-2-enyl)thiophene (CID 10942818) is 3-methyl-2-(3-methylbut-2-enyl)thiophene.
What is the SMILES notation for 3-methyl-2-(3-methylbut-2-enyl)thiophene?
The canonical SMILES for 3-methyl-2-(3-methylbut-2-enyl)thiophene is CC(C)=CCc1sccc1C.
What is the InChIKey of 3-methyl-2-(3-methylbut-2-enyl)thiophene?
The InChIKey is CVIDZLCXVGUFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-8(2)4-5-10-9(3)6-7-11-10/h4,6-7H,5H2,1-3H3.
What are the key properties of 3-methyl-2-(3-methylbut-2-enyl)thiophene?
3-methyl-2-(3-methylbut-2-enyl)thiophene has a molecular weight of 166.29 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylbut-2-enyl)thiophene is sourced from PubChem (CID 10942818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).