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

C12HI — CID 126629441

IUPAC1-iodododeca-1,3,5,7,9,11-hexayne
SMILESC#CC#CC#CC#CC#CC#CI
InChIInChI=1S/C12HI/c1-2-3-4-5-6-7-8-9-10-11-12-13/h1H
InChIKeyOABBJRRRCBFJPU-UHFFFAOYSA-N
MW272.04 g/mol
LogP1.03
Rot. Bonds

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

1-iodododeca-1,3,5,7,9,11-hexayne (PubChem CID 126629441) has the molecular formula C12HI and a molecular weight of 272.04 g/mol. Its IUPAC name is 1-iodododeca-1,3,5,7,9,11-hexayne.

Molecular Properties

Compound Name1-iodododeca-1,3,5,7,9,11-hexayne
PubChem CID126629441
Molecular FormulaC12HI
Molecular Weight272.04 g/mol
Exact Mass271.91
IUPAC Name1-iodododeca-1,3,5,7,9,11-hexayne
SMILESC#CC#CC#CC#CC#CC#CI
InChIInChI=1S/C12HI/c1-2-3-4-5-6-7-8-9-10-11-12-13/h1H
InChIKeyOABBJRRRCBFJPU-UHFFFAOYSA-N
XLogP1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.04
LogP ≤ 51.03
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-iodododeca-1,3,5,7,9,11-hexayne?
The IUPAC name of 1-iodododeca-1,3,5,7,9,11-hexayne (CID 126629441) is 1-iodododeca-1,3,5,7,9,11-hexayne.
What is the SMILES notation for 1-iodododeca-1,3,5,7,9,11-hexayne?
The canonical SMILES for 1-iodododeca-1,3,5,7,9,11-hexayne is C#CC#CC#CC#CC#CC#CI.
What is the InChIKey of 1-iodododeca-1,3,5,7,9,11-hexayne?
The InChIKey is OABBJRRRCBFJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12HI/c1-2-3-4-5-6-7-8-9-10-11-12-13/h1H.
What are the key properties of 1-iodododeca-1,3,5,7,9,11-hexayne?
1-iodododeca-1,3,5,7,9,11-hexayne has a molecular weight of 272.04 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodododeca-1,3,5,7,9,11-hexayne is sourced from PubChem (CID 126629441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).