1,5-ditelluracyclotetradeca-6,13-diyne

C12H16Te2 — CID 10927832

IUPAC1,5-ditelluracyclotetradeca-6,13-diyne
SMILESC1#C[Te]CCC[Te]C#CCCCCC1
InChIInChI=1S/C12H16Te2/c1-2-4-6-9-13-11-8-12-14-10-7-5-3-1/h1-5,8,11-12H2
InChIKeyMQEGTTNFZCRJEY-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.51
Rot. Bonds

About 1,5-ditelluracyclotetradeca-6,13-diyne

1,5-ditelluracyclotetradeca-6,13-diyne (PubChem CID 10927832) has the molecular formula C12H16Te2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 1,5-ditelluracyclotetradeca-6,13-diyne.

Molecular Properties

Compound Name1,5-ditelluracyclotetradeca-6,13-diyne
PubChem CID10927832
Molecular FormulaC12H16Te2
Molecular Weight415.46 g/mol
Exact Mass419.94
IUPAC Name1,5-ditelluracyclotetradeca-6,13-diyne
SMILESC1#C[Te]CCC[Te]C#CCCCCC1
InChIInChI=1S/C12H16Te2/c1-2-4-6-9-13-11-8-12-14-10-7-5-3-1/h1-5,8,11-12H2
InChIKeyMQEGTTNFZCRJEY-UHFFFAOYSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclooctyne;cyclopropane
CID 175311188
cyclohexacosa-1,3,14,16-tetrayne
CID 134978361
cyclononyne;cyclooctyne;bis(2-methylpropane)
CID 164956370
3,3-diiodocyclooctyne
CID 87241329
1λ6-thiacyclohexadeca-3,14-diyne 1,1-dioxide
CID 11032811
cycloundec-1-en-5-yne
CID 90875590
1,5-dithiacyclohexadeca-6,15-diyne
CID 11010471
1,2,3-triazacyclohexadec-10-yne
CID 142678796
cyclooctyne;2-methylbutane
CID 167614377
1,2,3,4,5,6,7,8,9,10,11,12,13-tridecazacyclodotetracont-41-yne
CID 177307020
1,2-dioxacyclododec-11-yne
CID 139745617
3-iodocyclooctyne
CID 174879521

Frequently Asked Questions

What is the IUPAC name of 1,5-ditelluracyclotetradeca-6,13-diyne?
The IUPAC name of 1,5-ditelluracyclotetradeca-6,13-diyne (CID 10927832) is 1,5-ditelluracyclotetradeca-6,13-diyne.
What is the SMILES notation for 1,5-ditelluracyclotetradeca-6,13-diyne?
The canonical SMILES for 1,5-ditelluracyclotetradeca-6,13-diyne is C1#C[Te]CCC[Te]C#CCCCCC1.
What is the InChIKey of 1,5-ditelluracyclotetradeca-6,13-diyne?
The InChIKey is MQEGTTNFZCRJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Te2/c1-2-4-6-9-13-11-8-12-14-10-7-5-3-1/h1-5,8,11-12H2.
What are the key properties of 1,5-ditelluracyclotetradeca-6,13-diyne?
1,5-ditelluracyclotetradeca-6,13-diyne has a molecular weight of 415.46 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditelluracyclotetradeca-6,13-diyne is sourced from PubChem (CID 10927832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).