3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene

C17H22S2 — CID 142418474

IUPAC3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene
SMILESCC1CC(C)(C)CC(c2ccsc2)(c2ccsc2)C1
InChIInChI=1S/C17H22S2/c1-13-8-16(2,3)12-17(9-13,14-4-6-18-10-14)15-5-7-19-11-15/h4-7,10-11,13H,8-9,12H2,1-3H3
InChIKeySTXIDYYECLCZPE-UHFFFAOYSA-N
MW290.50 g/mol
LogP5.94
Rot. Bonds2

About 3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene

3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene (PubChem CID 142418474) has the molecular formula C17H22S2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene.

Molecular Properties

Compound Name3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene
PubChem CID142418474
Molecular FormulaC17H22S2
Molecular Weight290.50 g/mol
Exact Mass290.12
IUPAC Name3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene
SMILESCC1CC(C)(C)CC(c2ccsc2)(c2ccsc2)C1
InChIInChI=1S/C17H22S2/c1-13-8-16(2,3)12-17(9-13,14-4-6-18-10-14)15-5-7-19-11-15/h4-7,10-11,13H,8-9,12H2,1-3H3
InChIKeySTXIDYYECLCZPE-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene?
The IUPAC name of 3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene (CID 142418474) is 3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene.
What is the SMILES notation for 3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene?
The canonical SMILES for 3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene is CC1CC(C)(C)CC(c2ccsc2)(c2ccsc2)C1.
What is the InChIKey of 3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene?
The InChIKey is STXIDYYECLCZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22S2/c1-13-8-16(2,3)12-17(9-13,14-4-6-18-10-14)15-5-7-19-11-15/h4-7,10-11,13H,8-9,12H2,1-3H3.
What are the key properties of 3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene?
3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene has a molecular weight of 290.50 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene is sourced from PubChem (CID 142418474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).