2,5-di(propan-2-yl)thiophene

C10H16S — CID 6429946

IUPAC2,5-di(propan-2-yl)thiophene
SMILESCC(C)c1ccc(C(C)C)s1
InChIInChI=1S/C10H16S/c1-7(2)9-5-6-10(11-9)8(3)4/h5-8H,1-4H3
InChIKeyBKGQPNIFUWWNOA-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.99
Rot. Bonds2

About 2,5-di(propan-2-yl)thiophene

2,5-di(propan-2-yl)thiophene (PubChem CID 6429946) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)thiophene.

Molecular Properties

Compound Name2,5-di(propan-2-yl)thiophene
PubChem CID6429946
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name2,5-di(propan-2-yl)thiophene
SMILESCC(C)c1ccc(C(C)C)s1
InChIInChI=1S/C10H16S/c1-7(2)9-5-6-10(11-9)8(3)4/h5-8H,1-4H3
InChIKeyBKGQPNIFUWWNOA-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)thiophene?
The IUPAC name of 2,5-di(propan-2-yl)thiophene (CID 6429946) is 2,5-di(propan-2-yl)thiophene.
What is the SMILES notation for 2,5-di(propan-2-yl)thiophene?
The canonical SMILES for 2,5-di(propan-2-yl)thiophene is CC(C)c1ccc(C(C)C)s1.
What is the InChIKey of 2,5-di(propan-2-yl)thiophene?
The InChIKey is BKGQPNIFUWWNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-7(2)9-5-6-10(11-9)8(3)4/h5-8H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)thiophene?
2,5-di(propan-2-yl)thiophene has a molecular weight of 168.30 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)thiophene is sourced from PubChem (CID 6429946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).