4-methyl-2-(3-methylbut-1-en-2-yl)thiophene

C10H14S — CID 126628471

IUPAC4-methyl-2-(3-methylbut-1-en-2-yl)thiophene
SMILESC=C(c1cc(C)cs1)C(C)C
InChIInChI=1S/C10H14S/c1-7(2)9(4)10-5-8(3)6-11-10/h5-7H,4H2,1-3H3
InChIKeyQDEDHSBUGSTIGA-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.73
Rot. Bonds2

About 4-methyl-2-(3-methylbut-1-en-2-yl)thiophene

4-methyl-2-(3-methylbut-1-en-2-yl)thiophene (PubChem CID 126628471) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 4-methyl-2-(3-methylbut-1-en-2-yl)thiophene.

Molecular Properties

Compound Name4-methyl-2-(3-methylbut-1-en-2-yl)thiophene
PubChem CID126628471
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name4-methyl-2-(3-methylbut-1-en-2-yl)thiophene
SMILESC=C(c1cc(C)cs1)C(C)C
InChIInChI=1S/C10H14S/c1-7(2)9(4)10-5-8(3)6-11-10/h5-7H,4H2,1-3H3
InChIKeyQDEDHSBUGSTIGA-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-2-(3-methylbut-1-en-2-yl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylthiophen-2-yl)prop-2-en-1-one
CID 59450303
(4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate
CID 24974935
(4-methylthiophen-2-yl)-[2,3,4-tris(4-methylthiophene-2-carbonyl)cyclobutyl]methanone
CID 101434742
2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid
CID 110836780
2-(4-methylthiophene-2-carbonyl)propanedinitrile
CID 130992381
N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide
CID 130835210
amino 4-methylthiophene-2-carboxylate
CID 175241543
2,4-bis(4-methylthiophen-2-yl)pentan-3-one
CID 67705817
2-(5-chlorothiophen-3-yl)-1-(4-methylthiophen-2-yl)ethanone
CID 130767597
2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone
CID 18463545
1-amino-1-(4-methylthiophen-2-yl)propan-2-ol
CID 55283060
2-amino-1-(4-methylthiophen-2-yl)propan-1-ol
CID 19422956

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylbut-1-en-2-yl)thiophene?
The IUPAC name of 4-methyl-2-(3-methylbut-1-en-2-yl)thiophene (CID 126628471) is 4-methyl-2-(3-methylbut-1-en-2-yl)thiophene.
What is the SMILES notation for 4-methyl-2-(3-methylbut-1-en-2-yl)thiophene?
The canonical SMILES for 4-methyl-2-(3-methylbut-1-en-2-yl)thiophene is C=C(c1cc(C)cs1)C(C)C.
What is the InChIKey of 4-methyl-2-(3-methylbut-1-en-2-yl)thiophene?
The InChIKey is QDEDHSBUGSTIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-7(2)9(4)10-5-8(3)6-11-10/h5-7H,4H2,1-3H3.
What are the key properties of 4-methyl-2-(3-methylbut-1-en-2-yl)thiophene?
4-methyl-2-(3-methylbut-1-en-2-yl)thiophene has a molecular weight of 166.29 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylbut-1-en-2-yl)thiophene is sourced from PubChem (CID 126628471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).