heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne

C27H4 — CID 20758195

IUPACheptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC
InChIInChI=1S/C27H4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h1H,2H3
InChIKeyCQESLXBMZDCUMZ-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.68
Rot. Bonds

About heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne

heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne (PubChem CID 20758195) has the molecular formula C27H4 and a molecular weight of 328.33 g/mol. Its IUPAC name is heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne.

Molecular Properties

Compound Nameheptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne
PubChem CID20758195
Molecular FormulaC27H4
Molecular Weight328.33 g/mol
Exact Mass328.03
IUPAC Nameheptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC
InChIInChI=1S/C27H4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h1H,2H3
InChIKeyCQESLXBMZDCUMZ-UHFFFAOYSA-N
XLogP0.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne?
The IUPAC name of heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne (CID 20758195) is heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne.
What is the SMILES notation for heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne?
The canonical SMILES for heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.
What is the InChIKey of heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne?
The InChIKey is CQESLXBMZDCUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h1H,2H3.
What are the key properties of heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne?
heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne has a molecular weight of 328.33 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecayne is sourced from PubChem (CID 20758195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).