2-(2,8-dibromooctyl)thiophene

C12H18Br2S — CID 174815393

IUPAC2-(2,8-dibromooctyl)thiophene
SMILESBrCCCCCCC(Br)Cc1cccs1
InChIInChI=1S/C12H18Br2S/c13-8-4-2-1-3-6-11(14)10-12-7-5-9-15-12/h5,7,9,11H,1-4,6,8,10H2
InChIKeyKSRJCBLYGUSAIM-UHFFFAOYSA-N
MW354.15 g/mol
LogP5.40
Rot. Bonds8

About 2-(2,8-dibromooctyl)thiophene

2-(2,8-dibromooctyl)thiophene (PubChem CID 174815393) has the molecular formula C12H18Br2S and a molecular weight of 354.15 g/mol. Its IUPAC name is 2-(2,8-dibromooctyl)thiophene.

Molecular Properties

Compound Name2-(2,8-dibromooctyl)thiophene
PubChem CID174815393
Molecular FormulaC12H18Br2S
Molecular Weight354.15 g/mol
Exact Mass351.95
IUPAC Name2-(2,8-dibromooctyl)thiophene
SMILESBrCCCCCCC(Br)Cc1cccs1
InChIInChI=1S/C12H18Br2S/c13-8-4-2-1-3-6-11(14)10-12-7-5-9-15-12/h5,7,9,11H,1-4,6,8,10H2
InChIKeyKSRJCBLYGUSAIM-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.15
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 63950801
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1-thiophen-2-yltridecan-2-amine
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2-(2-butyloctyl)thiophene
CID 66609412
2-(bromomethyl)thiophene
CID 11829978
1,1,13-tribromotridecane
CID 118276299
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine
CID 43692705
2-(2-bromo-3-methylpentyl)thiophene
CID 63017436
1,2,7-tribromoheptane
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2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene
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Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dibromooctyl)thiophene?
The IUPAC name of 2-(2,8-dibromooctyl)thiophene (CID 174815393) is 2-(2,8-dibromooctyl)thiophene.
What is the SMILES notation for 2-(2,8-dibromooctyl)thiophene?
The canonical SMILES for 2-(2,8-dibromooctyl)thiophene is BrCCCCCCC(Br)Cc1cccs1.
What is the InChIKey of 2-(2,8-dibromooctyl)thiophene?
The InChIKey is KSRJCBLYGUSAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2S/c13-8-4-2-1-3-6-11(14)10-12-7-5-9-15-12/h5,7,9,11H,1-4,6,8,10H2.
What are the key properties of 2-(2,8-dibromooctyl)thiophene?
2-(2,8-dibromooctyl)thiophene has a molecular weight of 354.15 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-dibromooctyl)thiophene is sourced from PubChem (CID 174815393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).