1-iodotrideca-1,3,5,7,9,11-hexayne

C13H3I — CID 126629443

IUPAC1-iodotrideca-1,3,5,7,9,11-hexayne
SMILESCC#CC#CC#CC#CC#CC#CI
InChIInChI=1S/C13H3I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h1H3
InChIKeyDQAMELAFOPAWLD-UHFFFAOYSA-N
MW286.07 g/mol
LogP1.42
Rot. Bonds

About 1-iodotrideca-1,3,5,7,9,11-hexayne

1-iodotrideca-1,3,5,7,9,11-hexayne (PubChem CID 126629443) has the molecular formula C13H3I and a molecular weight of 286.07 g/mol. Its IUPAC name is 1-iodotrideca-1,3,5,7,9,11-hexayne.

Molecular Properties

Compound Name1-iodotrideca-1,3,5,7,9,11-hexayne
PubChem CID126629443
Molecular FormulaC13H3I
Molecular Weight286.07 g/mol
Exact Mass285.93
IUPAC Name1-iodotrideca-1,3,5,7,9,11-hexayne
SMILESCC#CC#CC#CC#CC#CC#CI
InChIInChI=1S/C13H3I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h1H3
InChIKeyDQAMELAFOPAWLD-UHFFFAOYSA-N
XLogP1.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodotrideca-1,3,5,7,9,11-hexayne?
The IUPAC name of 1-iodotrideca-1,3,5,7,9,11-hexayne (CID 126629443) is 1-iodotrideca-1,3,5,7,9,11-hexayne.
What is the SMILES notation for 1-iodotrideca-1,3,5,7,9,11-hexayne?
The canonical SMILES for 1-iodotrideca-1,3,5,7,9,11-hexayne is CC#CC#CC#CC#CC#CC#CI.
What is the InChIKey of 1-iodotrideca-1,3,5,7,9,11-hexayne?
The InChIKey is DQAMELAFOPAWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H3I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h1H3.
What are the key properties of 1-iodotrideca-1,3,5,7,9,11-hexayne?
1-iodotrideca-1,3,5,7,9,11-hexayne has a molecular weight of 286.07 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodotrideca-1,3,5,7,9,11-hexayne is sourced from PubChem (CID 126629443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).