1-bromohexa-1,3,5-triyne;yttrium(3+)

C6BrY+2 — CID 20701578

IUPAC1-bromohexa-1,3,5-triyne;yttrium(3+)
SMILES[C-]#CC#CC#CBr.[Y+3]
InChIInChI=1S/C6Br.Y/c1-2-3-4-5-6-7;/q-1;+3
InChIKeyARJBLLYGMWWFDN-UHFFFAOYSA-N
MW240.88 g/mol
LogP0.93
Rot. Bonds

About 1-bromohexa-1,3,5-triyne;yttrium(3+)

1-bromohexa-1,3,5-triyne;yttrium(3+) (PubChem CID 20701578) has the molecular formula C6BrY+2 and a molecular weight of 240.88 g/mol. Its IUPAC name is 1-bromohexa-1,3,5-triyne;yttrium(3+).

Molecular Properties

Compound Name1-bromohexa-1,3,5-triyne;yttrium(3+)
PubChem CID20701578
Molecular FormulaC6BrY+2
Molecular Weight240.88 g/mol
Exact Mass239.82
IUPAC Name1-bromohexa-1,3,5-triyne;yttrium(3+)
SMILES[C-]#CC#CC#CBr.[Y+3]
InChIInChI=1S/C6Br.Y/c1-2-3-4-5-6-7;/q-1;+3
InChIKeyARJBLLYGMWWFDN-UHFFFAOYSA-N
XLogP0.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.88
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

nonahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67-tetratriacontayne
CID 177268470
nona-1,3,5,7-tetrayne
CID 59907654
pentaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83-dotetracontayne
CID 162450541
heptatriacontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235-octadecahectayne
CID 162450540
pentahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103-dopentacontayne
CID 153465337
1-bromohepta-1,3,5-triyne
CID 20735643
hexahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105-tripentacontayne
CID 177268390
tridecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211-hexahectayne
CID 165166664
pentanonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93-heptatetracontayne
CID 177268403
hexadeca-1,3,5,7,9,11,13,15-octayne;vanadium
CID 58058429
bromoethyne
CID 18356620
penta-2,4-diynylidynesulfanium
CID 101271079

Frequently Asked Questions

What is the IUPAC name of 1-bromohexa-1,3,5-triyne;yttrium(3+)?
The IUPAC name of 1-bromohexa-1,3,5-triyne;yttrium(3+) (CID 20701578) is 1-bromohexa-1,3,5-triyne;yttrium(3+).
What is the SMILES notation for 1-bromohexa-1,3,5-triyne;yttrium(3+)?
The canonical SMILES for 1-bromohexa-1,3,5-triyne;yttrium(3+) is [C-]#CC#CC#CBr.[Y+3].
What is the InChIKey of 1-bromohexa-1,3,5-triyne;yttrium(3+)?
The InChIKey is ARJBLLYGMWWFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Br.Y/c1-2-3-4-5-6-7;/q-1;+3.
What are the key properties of 1-bromohexa-1,3,5-triyne;yttrium(3+)?
1-bromohexa-1,3,5-triyne;yttrium(3+) has a molecular weight of 240.88 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromohexa-1,3,5-triyne;yttrium(3+) is sourced from PubChem (CID 20701578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).