2-tert-butyl-3,4-dimethyl-5-propan-2-ylthiophene

C13H22S — CID 159640587

IUPAC2-tert-butyl-3,4-dimethyl-5-propan-2-ylthiophene
SMILESCc1c(C(C)C)sc(C(C)(C)C)c1C
InChIInChI=1S/C13H22S/c1-8(2)11-9(3)10(4)12(14-11)13(5,6)7/h8H,1-7H3
InChIKeyWKHLKSSMIXYLEF-UHFFFAOYSA-N
MW210.39 g/mol
LogP4.79
Rot. Bonds1

About 2-tert-butyl-3,4-dimethyl-5-propan-2-ylthiophene

2-tert-butyl-3,4-dimethyl-5-propan-2-ylthiophene (PubChem CID 159640587) has the molecular formula C13H22S and a molecular weight of 210.39 g/mol. Its IUPAC name is 2-tert-butyl-3,4-dimethyl-5-propan-2-ylthiophene.

Molecular Properties

Compound Name2-tert-butyl-3,4-dimethyl-5-propan-2-ylthiophene
PubChem CID159640587
Molecular FormulaC13H22S
Molecular Weight210.39 g/mol
Exact Mass210.14
IUPAC Name2-tert-butyl-3,4-dimethyl-5-propan-2-ylthiophene
SMILESCc1c(C(C)C)sc(C(C)(C)C)c1C
InChIInChI=1S/C13H22S/c1-8(2)11-9(3)10(4)12(14-11)13(5,6)7/h8H,1-7H3
InChIKeyWKHLKSSMIXYLEF-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-4-methyl-2,5-di(propan-2-yl)thiophene
CID 155400752
tert-butyl N-[4-methyl-2,5-di(propan-2-yl)thiophen-3-yl]carbamate
CID 155390204
3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 89159795
2,3-ditert-butyl-5-propan-2-ylthiophene
CID 58548228
ethane;3-methyl-2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 143138018
5-tert-butyl-6-methylthieno[3,2-b]thiophene;ethane;5-ethyl-2,6-dimethylthieno[3,2-b]thiophene;5-ethyl-3,6-dimethylthieno[3,2-b]thiophene;5-ethyl-6-methylthieno[3,2-b]thiophene;6-methyl-5-propan-2-ylthieno[3,2-b]thiophene
CID 161050101
3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 123704110
5-tert-butyl-2-propan-2-yl-1,3-thiazol-4-amine
CID 163663942
2-tert-butyl-3,7-dimethyl-1-benzothiophene
CID 155456279
3-tert-butyl-4-methyl-5-propan-2-yl-1H-pyrazole
CID 162784355
2-tert-butyl-3-propan-2-ylthiophene
CID 23527319
5-tert-butyl-4-propan-2-ylthiadiazole
CID 67889932

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,4-dimethyl-5-propan-2-ylthiophene?
The IUPAC name of 2-tert-butyl-3,4-dimethyl-5-propan-2-ylthiophene (CID 159640587) is 2-tert-butyl-3,4-dimethyl-5-propan-2-ylthiophene.
What is the SMILES notation for 2-tert-butyl-3,4-dimethyl-5-propan-2-ylthiophene?
The canonical SMILES for 2-tert-butyl-3,4-dimethyl-5-propan-2-ylthiophene is Cc1c(C(C)C)sc(C(C)(C)C)c1C.
What is the InChIKey of 2-tert-butyl-3,4-dimethyl-5-propan-2-ylthiophene?
The InChIKey is WKHLKSSMIXYLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22S/c1-8(2)11-9(3)10(4)12(14-11)13(5,6)7/h8H,1-7H3.
What are the key properties of 2-tert-butyl-3,4-dimethyl-5-propan-2-ylthiophene?
2-tert-butyl-3,4-dimethyl-5-propan-2-ylthiophene has a molecular weight of 210.39 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,4-dimethyl-5-propan-2-ylthiophene is sourced from PubChem (CID 159640587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).