5-tert-butyl-2,3-dimethylthiophene

C10H16S — CID 59772802

IUPAC5-tert-butyl-2,3-dimethylthiophene
SMILESCc1cc(C(C)(C)C)sc1C
InChIInChI=1S/C10H16S/c1-7-6-9(10(3,4)5)11-8(7)2/h6H,1-5H3
InChIKeyMAWYXZOXKXVSAK-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.66
Rot. Bonds

About 5-tert-butyl-2,3-dimethylthiophene

5-tert-butyl-2,3-dimethylthiophene (PubChem CID 59772802) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dimethylthiophene.

Molecular Properties

Compound Name5-tert-butyl-2,3-dimethylthiophene
PubChem CID59772802
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name5-tert-butyl-2,3-dimethylthiophene
SMILESCc1cc(C(C)(C)C)sc1C
InChIInChI=1S/C10H16S/c1-7-6-9(10(3,4)5)11-8(7)2/h6H,1-5H3
InChIKeyMAWYXZOXKXVSAK-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3-dimethylthiophene?
The IUPAC name of 5-tert-butyl-2,3-dimethylthiophene (CID 59772802) is 5-tert-butyl-2,3-dimethylthiophene.
What is the SMILES notation for 5-tert-butyl-2,3-dimethylthiophene?
The canonical SMILES for 5-tert-butyl-2,3-dimethylthiophene is Cc1cc(C(C)(C)C)sc1C.
What is the InChIKey of 5-tert-butyl-2,3-dimethylthiophene?
The InChIKey is MAWYXZOXKXVSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-7-6-9(10(3,4)5)11-8(7)2/h6H,1-5H3.
What are the key properties of 5-tert-butyl-2,3-dimethylthiophene?
5-tert-butyl-2,3-dimethylthiophene has a molecular weight of 168.30 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3-dimethylthiophene is sourced from PubChem (CID 59772802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).