2,5-dibromo-3-dec-3-ynylthiophene

C14H18Br2S — CID 67460155

IUPAC2,5-dibromo-3-dec-3-ynylthiophene
SMILESCCCCCCC#CCCc1cc(Br)sc1Br
InChIInChI=1S/C14H18Br2S/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h11H,2-6,9-10H2,1H3
InChIKeyLOAHGTBMJWWGJW-UHFFFAOYSA-N
MW378.17 g/mol
LogP6.18
Rot. Bonds6

About 2,5-dibromo-3-dec-3-ynylthiophene

2,5-dibromo-3-dec-3-ynylthiophene (PubChem CID 67460155) has the molecular formula C14H18Br2S and a molecular weight of 378.17 g/mol. Its IUPAC name is 2,5-dibromo-3-dec-3-ynylthiophene.

Molecular Properties

Compound Name2,5-dibromo-3-dec-3-ynylthiophene
PubChem CID67460155
Molecular FormulaC14H18Br2S
Molecular Weight378.17 g/mol
Exact Mass375.95
IUPAC Name2,5-dibromo-3-dec-3-ynylthiophene
SMILESCCCCCCC#CCCc1cc(Br)sc1Br
InChIInChI=1S/C14H18Br2S/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h11H,2-6,9-10H2,1H3
InChIKeyLOAHGTBMJWWGJW-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.17
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-3-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]thiophene
CID 102230432
5-bromo-2-(5-bromo-3-octylthiophen-2-yl)-3-octylthiophene
CID 86180196
5-bromo-3-hexyl-2-methylthiophene
CID 58352067
2,5-dibromo-3-ethylthiophene
CID 14896125
henicos-8-yne
CID 22224321
11-(2,5-dibromothiophen-3-yl)undecan-1-ol
CID 101496328
6-(2,5-dibromothiophen-3-yl)hexan-1-ol
CID 86013367
hexadeca-3,9-diyne
CID 54568863
hexacos-3-yne
CID 22223851
2,4,6-tris(5-bromo-3-hexylthiophen-2-yl)-1,3,5-triazine
CID 122229494
1-(2,5-dibromothiophen-3-yl)pentan-3-one
CID 122517209
2,5-dibromo-3-[10-[4-(6-octylnaphthalen-2-yl)phenoxy]decyl]thiophene
CID 102485147

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-dec-3-ynylthiophene?
The IUPAC name of 2,5-dibromo-3-dec-3-ynylthiophene (CID 67460155) is 2,5-dibromo-3-dec-3-ynylthiophene.
What is the SMILES notation for 2,5-dibromo-3-dec-3-ynylthiophene?
The canonical SMILES for 2,5-dibromo-3-dec-3-ynylthiophene is CCCCCCC#CCCc1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-3-dec-3-ynylthiophene?
The InChIKey is LOAHGTBMJWWGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2S/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h11H,2-6,9-10H2,1H3.
What are the key properties of 2,5-dibromo-3-dec-3-ynylthiophene?
2,5-dibromo-3-dec-3-ynylthiophene has a molecular weight of 378.17 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-dec-3-ynylthiophene is sourced from PubChem (CID 67460155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).