1-iodotetradeca-1,3,5,7,9,11,13-heptayne

C14HI — CID 126629445

IUPAC1-iodotetradeca-1,3,5,7,9,11,13-heptayne
SMILESC#CC#CC#CC#CC#CC#CC#CI
InChIInChI=1S/C14HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h1H
InChIKeyUKYUTGUJDLXWPE-UHFFFAOYSA-N
MW296.07 g/mol
LogP1.03
Rot. Bonds

About 1-iodotetradeca-1,3,5,7,9,11,13-heptayne

1-iodotetradeca-1,3,5,7,9,11,13-heptayne (PubChem CID 126629445) has the molecular formula C14HI and a molecular weight of 296.07 g/mol. Its IUPAC name is 1-iodotetradeca-1,3,5,7,9,11,13-heptayne.

Molecular Properties

Compound Name1-iodotetradeca-1,3,5,7,9,11,13-heptayne
PubChem CID126629445
Molecular FormulaC14HI
Molecular Weight296.07 g/mol
Exact Mass295.91
IUPAC Name1-iodotetradeca-1,3,5,7,9,11,13-heptayne
SMILESC#CC#CC#CC#CC#CC#CC#CI
InChIInChI=1S/C14HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h1H
InChIKeyUKYUTGUJDLXWPE-UHFFFAOYSA-N
XLogP1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.07
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-iodotetradeca-1,3,5,7,9,11,13-heptayne?
The IUPAC name of 1-iodotetradeca-1,3,5,7,9,11,13-heptayne (CID 126629445) is 1-iodotetradeca-1,3,5,7,9,11,13-heptayne.
What is the SMILES notation for 1-iodotetradeca-1,3,5,7,9,11,13-heptayne?
The canonical SMILES for 1-iodotetradeca-1,3,5,7,9,11,13-heptayne is C#CC#CC#CC#CC#CC#CC#CI.
What is the InChIKey of 1-iodotetradeca-1,3,5,7,9,11,13-heptayne?
The InChIKey is UKYUTGUJDLXWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h1H.
What are the key properties of 1-iodotetradeca-1,3,5,7,9,11,13-heptayne?
1-iodotetradeca-1,3,5,7,9,11,13-heptayne has a molecular weight of 296.07 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-iodotetradeca-1,3,5,7,9,11,13-heptayne is sourced from PubChem (CID 126629445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).