3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene

C16H22S2 — CID 86062487

IUPAC3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene
SMILESCC(C)Cc1ccsc1-c1sccc1CC(C)C
InChIInChI=1S/C16H22S2/c1-11(2)9-13-5-7-17-15(13)16-14(6-8-18-16)10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyXZOUWNZYLXVYFB-UHFFFAOYSA-N
MW278.49 g/mol
LogP5.87
Rot. Bonds5

About 3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene

3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene (PubChem CID 86062487) has the molecular formula C16H22S2 and a molecular weight of 278.49 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene
PubChem CID86062487
Molecular FormulaC16H22S2
Molecular Weight278.49 g/mol
Exact Mass278.12
IUPAC Name3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene
SMILESCC(C)Cc1ccsc1-c1sccc1CC(C)C
InChIInChI=1S/C16H22S2/c1-11(2)9-13-5-7-17-15(13)16-14(6-8-18-16)10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
InChIKeyXZOUWNZYLXVYFB-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.49
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene?
The IUPAC name of 3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene (CID 86062487) is 3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene.
What is the SMILES notation for 3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene?
The canonical SMILES for 3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene is CC(C)Cc1ccsc1-c1sccc1CC(C)C.
What is the InChIKey of 3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene?
The InChIKey is XZOUWNZYLXVYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22S2/c1-11(2)9-13-5-7-17-15(13)16-14(6-8-18-16)10-12(3)4/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene?
3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene has a molecular weight of 278.49 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2-[3-(2-methylpropyl)thiophen-2-yl]thiophene is sourced from PubChem (CID 86062487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).