2-(1-bicyclo[2.2.2]octanyl)thiophene

C12H16S — CID 140617889

IUPAC2-(1-bicyclo[2.2.2]octanyl)thiophene
SMILESc1csc(C23CCC(CC2)CC3)c1
InChIInChI=1S/C12H16S/c1-2-11(13-9-1)12-6-3-10(4-7-12)5-8-12/h1-2,9-10H,3-8H2
InChIKeyBTNOYOGXLVFAPP-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.97
Rot. Bonds1

About 2-(1-bicyclo[2.2.2]octanyl)thiophene

2-(1-bicyclo[2.2.2]octanyl)thiophene (PubChem CID 140617889) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.2]octanyl)thiophene.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.2]octanyl)thiophene
PubChem CID140617889
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name2-(1-bicyclo[2.2.2]octanyl)thiophene
SMILESc1csc(C23CCC(CC2)CC3)c1
InChIInChI=1S/C12H16S/c1-2-11(13-9-1)12-6-3-10(4-7-12)5-8-12/h1-2,9-10H,3-8H2
InChIKeyBTNOYOGXLVFAPP-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[2.2.2]octanyl)thiophene?
The IUPAC name of 2-(1-bicyclo[2.2.2]octanyl)thiophene (CID 140617889) is 2-(1-bicyclo[2.2.2]octanyl)thiophene.
What is the SMILES notation for 2-(1-bicyclo[2.2.2]octanyl)thiophene?
The canonical SMILES for 2-(1-bicyclo[2.2.2]octanyl)thiophene is c1csc(C23CCC(CC2)CC3)c1.
What is the InChIKey of 2-(1-bicyclo[2.2.2]octanyl)thiophene?
The InChIKey is BTNOYOGXLVFAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-2-11(13-9-1)12-6-3-10(4-7-12)5-8-12/h1-2,9-10H,3-8H2.
What are the key properties of 2-(1-bicyclo[2.2.2]octanyl)thiophene?
2-(1-bicyclo[2.2.2]octanyl)thiophene has a molecular weight of 192.33 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.2]octanyl)thiophene is sourced from PubChem (CID 140617889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).