cyclohexacosa-1,3,14,16-tetrayne

C26H36 — CID 134978361

IUPACcyclohexacosa-1,3,14,16-tetrayne
SMILESC1#CCCCCCCCCCC#CC#CCCCCCCCCCC#C1
InChIInChI=1S/C26H36/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-9,18-26H2
InChIKeyYZHXGCQEFGIAKS-UHFFFAOYSA-N
MW348.57 g/mol
LogP7.04
Rot. Bonds

About cyclohexacosa-1,3,14,16-tetrayne

cyclohexacosa-1,3,14,16-tetrayne (PubChem CID 134978361) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is cyclohexacosa-1,3,14,16-tetrayne.

Molecular Properties

Compound Namecyclohexacosa-1,3,14,16-tetrayne
PubChem CID134978361
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Namecyclohexacosa-1,3,14,16-tetrayne
SMILESC1#CCCCCCCCCCC#CC#CCCCCCCCCCC#C1
InChIInChI=1S/C26H36/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-9,18-26H2
InChIKeyYZHXGCQEFGIAKS-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclooctyne;cyclopropane
CID 175311188
cyclononyne;cyclooctyne;bis(2-methylpropane)
CID 164956370
[23-(hydroxymethyl)-1,4,21,24-tetraoxacyclotetraconta-11,13,31,33-tetrayn-2-yl]methanol
CID 11039363
1,5-ditelluracyclotetradeca-6,13-diyne
CID 10927832
1λ6-thiacyclohexadeca-3,14-diyne 1,1-dioxide
CID 11032811
1,5-dithiacyclohexadeca-6,15-diyne
CID 11010471
cycloundec-1-en-5-yne
CID 90875590
1,2,3-triazacyclohexadec-10-yne
CID 142678796
cyclooctyne;2-methylbutane
CID 167614377
3,3-diiodocyclooctyne
CID 87241329
1,2-dioxacyclododec-11-yne
CID 139745617
3-iodocyclooctyne
CID 174879521

Frequently Asked Questions

What is the IUPAC name of cyclohexacosa-1,3,14,16-tetrayne?
The IUPAC name of cyclohexacosa-1,3,14,16-tetrayne (CID 134978361) is cyclohexacosa-1,3,14,16-tetrayne.
What is the SMILES notation for cyclohexacosa-1,3,14,16-tetrayne?
The canonical SMILES for cyclohexacosa-1,3,14,16-tetrayne is C1#CCCCCCCCCCC#CC#CCCCCCCCCCC#C1.
What is the InChIKey of cyclohexacosa-1,3,14,16-tetrayne?
The InChIKey is YZHXGCQEFGIAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-9,18-26H2.
What are the key properties of cyclohexacosa-1,3,14,16-tetrayne?
cyclohexacosa-1,3,14,16-tetrayne has a molecular weight of 348.57 g/mol, XLogP of 7.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexacosa-1,3,14,16-tetrayne is sourced from PubChem (CID 134978361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).