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

C28H5- — CID 164732425

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#CC
InChIInChI=1S/C28H5/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/h1H2,2H3/q-1
InChIKeyPZKNVGOPBNWWDV-UHFFFAOYSA-N
MW341.35 g/mol
LogP0.88
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 164732425) has the molecular formula C28H5- and a molecular weight of 341.35 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 CID164732425
Molecular FormulaC28H5-
Molecular Weight341.35 g/mol
Exact Mass341.04
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#CC
InChIInChI=1S/C28H5/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/h1H2,2H3/q-1
InChIKeyPZKNVGOPBNWWDV-UHFFFAOYSA-N
XLogP0.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 50.88
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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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 164732425) 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#CC.
What is the InChIKey of octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne?
The InChIKey is PZKNVGOPBNWWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H5/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/h1H2,2H3/q-1.
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 341.35 g/mol, XLogP of 0.88, 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 164732425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).