2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene

C20H26S — CID 155041547

IUPAC2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene
SMILESCC(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)sc1-2
InChIInChI=1S/C20H26S/c1-12(2)13-8-9-14-15(10-13)20(6,7)16-11-17(19(3,4)5)21-18(14)16/h8-12H,1-7H3
InChIKeyJFIBFZPWCVYIDZ-UHFFFAOYSA-N
MW298.50 g/mol
LogP6.48
Rot. Bonds1

About 2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene

2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene (PubChem CID 155041547) has the molecular formula C20H26S and a molecular weight of 298.50 g/mol. Its IUPAC name is 2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene.

Molecular Properties

Compound Name2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene
PubChem CID155041547
Molecular FormulaC20H26S
Molecular Weight298.50 g/mol
Exact Mass298.18
IUPAC Name2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene
SMILESCC(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)sc1-2
InChIInChI=1S/C20H26S/c1-12(2)13-8-9-14-15(10-13)20(6,7)16-11-17(19(3,4)5)21-18(14)16/h8-12H,1-7H3
InChIKeyJFIBFZPWCVYIDZ-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.50
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene?
The IUPAC name of 2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene (CID 155041547) is 2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene.
What is the SMILES notation for 2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene?
The canonical SMILES for 2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene is CC(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C)sc1-2.
What is the InChIKey of 2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene?
The InChIKey is JFIBFZPWCVYIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26S/c1-12(2)13-8-9-14-15(10-13)20(6,7)16-11-17(19(3,4)5)21-18(14)16/h8-12H,1-7H3.
What are the key properties of 2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene?
2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene has a molecular weight of 298.50 g/mol, XLogP of 6.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,4-dimethyl-6-propan-2-ylindeno[1,2-b]thiophene is sourced from PubChem (CID 155041547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).