but-2-yne;bis((E)-non-7-en-1,3,5-triyne)

C22H17- — CID 162254669

IUPACbut-2-yne;bis((E)-non-7-en-1,3,5-triyne)
SMILESC#CC#CC#C/C=C/C.C#CC#CC#C/C=C/C.[CH2-]C#CC
InChIInChI=1S/2C9H6.C4H5/c2*1-3-5-7-9-8-6-4-2;1-3-4-2/h2*1,4,6H,2H3;1H2,2H3/q;;-1/b2*6-4+;
InChIKeyZYKZQXKYIVOLLQ-NVWHPRHESA-N
MW281.38 g/mol
LogP3.25
Rot. Bonds

About but-2-yne;bis((E)-non-7-en-1,3,5-triyne)

but-2-yne;bis((E)-non-7-en-1,3,5-triyne) (PubChem CID 162254669) has the molecular formula C22H17- and a molecular weight of 281.38 g/mol. Its IUPAC name is but-2-yne;bis((E)-non-7-en-1,3,5-triyne).

Molecular Properties

Compound Namebut-2-yne;bis((E)-non-7-en-1,3,5-triyne)
PubChem CID162254669
Molecular FormulaC22H17-
Molecular Weight281.38 g/mol
Exact Mass281.13
IUPAC Namebut-2-yne;bis((E)-non-7-en-1,3,5-triyne)
SMILESC#CC#CC#C/C=C/C.C#CC#CC#C/C=C/C.[CH2-]C#CC
InChIInChI=1S/2C9H6.C4H5/c2*1-3-5-7-9-8-6-4-2;1-3-4-2/h2*1,4,6H,2H3;1H2,2H3/q;;-1/b2*6-4+;
InChIKeyZYKZQXKYIVOLLQ-NVWHPRHESA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.25
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

pentatriacontadicta-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-heptadecahectayne
CID 156625954
tripentaconta-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-hexacosayne
CID 20755377
pentahexaconta-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-dotriacontayne
CID 21043403
hentetracontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235,237,239-icosahectayne
CID 59401162
hex-2-en-4-yne
CID 518874
trioctacontahecta-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-hennonacontayne
CID 123903033
deca-1,3,5,7,9-pentayne;dodeca-2,4,6,8,10-pentayne;hexadeca-2,4,6,8,10,12,14-heptayne;hexa-1,3,5-triyne;octa-2,4,6-triyne;tetradeca-1,3,5,7,9,11,13-heptayne
CID 159349668
(Z)-hex-2-en-4-yne
CID 5367513
hepta-1,3,5-triyne
CID 23404648
heptanonacontahecta-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-octanonacontayne
CID 140801165
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 58245595
trihexacontahecta-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-henoctacontayne
CID 165166644

Frequently Asked Questions

What is the IUPAC name of but-2-yne;bis((E)-non-7-en-1,3,5-triyne)?
The IUPAC name of but-2-yne;bis((E)-non-7-en-1,3,5-triyne) (CID 162254669) is but-2-yne;bis((E)-non-7-en-1,3,5-triyne).
What is the SMILES notation for but-2-yne;bis((E)-non-7-en-1,3,5-triyne)?
The canonical SMILES for but-2-yne;bis((E)-non-7-en-1,3,5-triyne) is C#CC#CC#C/C=C/C.C#CC#CC#C/C=C/C.[CH2-]C#CC.
What is the InChIKey of but-2-yne;bis((E)-non-7-en-1,3,5-triyne)?
The InChIKey is ZYKZQXKYIVOLLQ-NVWHPRHESA-N. The full InChI is InChI=1S/2C9H6.C4H5/c2*1-3-5-7-9-8-6-4-2;1-3-4-2/h2*1,4,6H,2H3;1H2,2H3/q;;-1/b2*6-4+;.
What are the key properties of but-2-yne;bis((E)-non-7-en-1,3,5-triyne)?
but-2-yne;bis((E)-non-7-en-1,3,5-triyne) has a molecular weight of 281.38 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;bis((E)-non-7-en-1,3,5-triyne) is sourced from PubChem (CID 162254669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).