2-methyl-5-pentylthiophene

C10H16S — CID 528253

IUPAC2-methyl-5-pentylthiophene
SMILESCCCCCc1ccc(C)s1
InChIInChI=1S/C10H16S/c1-3-4-5-6-10-8-7-9(2)11-10/h7-8H,3-6H2,1-2H3
InChIKeySAQLTJYOYWUZSD-UHFFFAOYSA-N
MW168.31 g/mol
LogP3.79
Rot. Bonds4

About 2-methyl-5-pentylthiophene

2-methyl-5-pentylthiophene (PubChem CID 528253) has the molecular formula C10H16S and a molecular weight of 168.31 g/mol. Its IUPAC name is 2-methyl-5-pentylthiophene.

Molecular Properties

Compound Name2-methyl-5-pentylthiophene
PubChem CID528253
Molecular FormulaC10H16S
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name2-methyl-5-pentylthiophene
SMILESCCCCCc1ccc(C)s1
InChIInChI=1S/C10H16S/c1-3-4-5-6-10-8-7-9(2)11-10/h7-8H,3-6H2,1-2H3
InChIKeySAQLTJYOYWUZSD-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pentylthiophene?
The IUPAC name of 2-methyl-5-pentylthiophene (CID 528253) is 2-methyl-5-pentylthiophene.
What is the SMILES notation for 2-methyl-5-pentylthiophene?
The canonical SMILES for 2-methyl-5-pentylthiophene is CCCCCc1ccc(C)s1.
What is the InChIKey of 2-methyl-5-pentylthiophene?
The InChIKey is SAQLTJYOYWUZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-3-4-5-6-10-8-7-9(2)11-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-methyl-5-pentylthiophene?
2-methyl-5-pentylthiophene has a molecular weight of 168.31 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pentylthiophene is sourced from PubChem (CID 528253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).