7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene

C14H18S — CID 170780824

IUPAC7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene
SMILESCc1cc2cccc(CC(C)(C)C)c2s1
InChIInChI=1S/C14H18S/c1-10-8-11-6-5-7-12(13(11)15-10)9-14(2,3)4/h5-8H,9H2,1-4H3
InChIKeyUSJFNLJDYWMPIJ-UHFFFAOYSA-N
MW218.37 g/mol
LogP4.80
Rot. Bonds1

About 7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene

7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene (PubChem CID 170780824) has the molecular formula C14H18S and a molecular weight of 218.37 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene
PubChem CID170780824
Molecular FormulaC14H18S
Molecular Weight218.37 g/mol
Exact Mass218.11
IUPAC Name7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene
SMILESCc1cc2cccc(CC(C)(C)C)c2s1
InChIInChI=1S/C14H18S/c1-10-8-11-6-5-7-12(13(11)15-10)9-14(2,3)4/h5-8H,9H2,1-4H3
InChIKeyUSJFNLJDYWMPIJ-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene?
The IUPAC name of 7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene (CID 170780824) is 7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene?
The canonical SMILES for 7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene is Cc1cc2cccc(CC(C)(C)C)c2s1.
What is the InChIKey of 7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene?
The InChIKey is USJFNLJDYWMPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S/c1-10-8-11-6-5-7-12(13(11)15-10)9-14(2,3)4/h5-8H,9H2,1-4H3.
What are the key properties of 7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene?
7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene has a molecular weight of 218.37 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene is sourced from PubChem (CID 170780824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).