2-bromo-5-decan-5-ylthiophene

C14H23BrS — CID 146426947

IUPAC2-bromo-5-decan-5-ylthiophene
SMILESCCCCCC(CCCC)c1ccc(Br)s1
InChIInChI=1S/C14H23BrS/c1-3-5-7-9-12(8-6-4-2)13-10-11-14(15)16-13/h10-12H,3-9H2,1-2H3
InChIKeyWCVVBRPIPXPSFI-UHFFFAOYSA-N
MW303.31 g/mol
LogP6.36
Rot. Bonds8

About 2-bromo-5-decan-5-ylthiophene

2-bromo-5-decan-5-ylthiophene (PubChem CID 146426947) has the molecular formula C14H23BrS and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-bromo-5-decan-5-ylthiophene.

Molecular Properties

Compound Name2-bromo-5-decan-5-ylthiophene
PubChem CID146426947
Molecular FormulaC14H23BrS
Molecular Weight303.31 g/mol
Exact Mass302.07
IUPAC Name2-bromo-5-decan-5-ylthiophene
SMILESCCCCCC(CCCC)c1ccc(Br)s1
InChIInChI=1S/C14H23BrS/c1-3-5-7-9-12(8-6-4-2)13-10-11-14(15)16-13/h10-12H,3-9H2,1-2H3
InChIKeyWCVVBRPIPXPSFI-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.31
LogP ≤ 56.36
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-bromo-5-decan-5-ylthiophene?
The IUPAC name of 2-bromo-5-decan-5-ylthiophene (CID 146426947) is 2-bromo-5-decan-5-ylthiophene.
What is the SMILES notation for 2-bromo-5-decan-5-ylthiophene?
The canonical SMILES for 2-bromo-5-decan-5-ylthiophene is CCCCCC(CCCC)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-decan-5-ylthiophene?
The InChIKey is WCVVBRPIPXPSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrS/c1-3-5-7-9-12(8-6-4-2)13-10-11-14(15)16-13/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-bromo-5-decan-5-ylthiophene?
2-bromo-5-decan-5-ylthiophene has a molecular weight of 303.31 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-decan-5-ylthiophene is sourced from PubChem (CID 146426947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).