octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne

C28H4-2 — CID 164732411

IUPACoctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne
SMILES[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-]
InChIInChI=1S/C28H4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1-2H2/q-2
InChIKeyIEIPUNOKYJYOGA-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.70
Rot. Bonds

About octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne

octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne (PubChem CID 164732411) has the molecular formula C28H4-2 and a molecular weight of 340.34 g/mol. Its IUPAC name is octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne.

Molecular Properties

Compound Nameoctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne
PubChem CID164732411
Molecular FormulaC28H4-2
Molecular Weight340.34 g/mol
Exact Mass340.03
IUPAC Nameoctacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne
SMILES[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-]
InChIInChI=1S/C28H4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1-2H2/q-2
InChIKeyIEIPUNOKYJYOGA-UHFFFAOYSA-N
XLogP0.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.70
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

hexatriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34-heptadecayne
CID 155792893
octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne
CID 164732425
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
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
dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecayne
CID 58245186
hepta-1,3,5-triyne
CID 23404648
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
pentaheptaconta-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-heptatriacontayne
CID 140657877
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
but-2-yne;vanadium
CID 58531794
but-2-yne;bis((E)-non-7-en-1,3,5-triyne)
CID 162254669
silver prop-1-yne
CID 134964921

Frequently Asked Questions

What is the IUPAC name of octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne?
The IUPAC name of octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne (CID 164732411) is octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne.
What is the SMILES notation for octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne?
The canonical SMILES for octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne is [CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-].
What is the InChIKey of octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne?
The InChIKey is IEIPUNOKYJYOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1-2H2/q-2.
What are the key properties of octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne?
octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne has a molecular weight of 340.34 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne is sourced from PubChem (CID 164732411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).