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

C66H24 — CID 159349668

IUPACdeca-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
SMILESC#CC#CC#C.C#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#C.CC#CC#CC#CC.CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC
InChIInChI=1S/C16H6.C14H2.C12H6.C10H2.C8H6.C6H2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2;1-3-5-7-8-6-4-2;1-3-5-6-4-2/h1-2H3;1-2H;1-2H3;1-2H;1-2H3;1-2H
InChIKeyLHEAJFFCWVIYHV-UHFFFAOYSA-N
MW816.92 g/mol
LogP3.92
Rot. Bonds

About 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

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 (PubChem CID 159349668) has the molecular formula C66H24 and a molecular weight of 816.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedeca-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
PubChem CID159349668
Molecular FormulaC66H24
Molecular Weight816.92 g/mol
Exact Mass816.19
IUPAC Namedeca-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
SMILESC#CC#CC#C.C#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#C.CC#CC#CC#CC.CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC
InChIInChI=1S/C16H6.C14H2.C12H6.C10H2.C8H6.C6H2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2;1-3-5-7-8-6-4-2;1-3-5-6-4-2/h1-2H3;1-2H;1-2H3;1-2H;1-2H3;1-2H
InChIKeyLHEAJFFCWVIYHV-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms66
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500816.92
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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
tritriacontahecta-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-hexahexacontayne
CID 58354339
acetylene;but-2-yne;cerium;deca-1,3,5,7,9-pentayne;dodeca-2,4,6,8,10-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne;tetradeca-1,3,5,7,9,11,13-heptayne;trideca-1,3,5,7,9,11-hexayne;undeca-1,3,5,7,9-pentayne
CID 161084489
octadeca-1,3,5,7,10,12,14,16-octayne
CID 59330718
2-methylbutane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne
CID 159623908
1-dodeca-1,3,5,7,9,11-hexaynyl-2-hepta-1,3,5-triynyl-4-penta-1,3-diynyl-5-tetradeca-1,3,5,7,9,11,13-heptaynylcyclohexa-1,4-diene
CID 54082101
hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne
CID 21343619

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C#CC#CC#C.C#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#C.CC#CC#CC#CC.CC#CC#CC#CC#CC#CC.CC#CC#CC#CC#CC#CC#CC#CC.
What is the InChIKey of 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?
The InChIKey is LHEAJFFCWVIYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6.C14H2.C12H6.C10H2.C8H6.C6H2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-3-5-7-9-11-12-10-8-6-4-2;1-3-5-7-9-10-8-6-4-2;1-3-5-7-8-6-4-2;1-3-5-6-4-2/h1-2H3;1-2H;1-2H3;1-2H;1-2H3;1-2H.
What are the key properties of 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?
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 has a molecular weight of 816.92 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159349668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).