1-iodonona-1,3,5,7-tetrayne

C9H3I — CID 126629440

IUPAC1-iodonona-1,3,5,7-tetrayne
SMILESCC#CC#CC#CC#CI
InChIInChI=1S/C9H3I/c1-2-3-4-5-6-7-8-9-10/h1H3
InChIKeyGJALOAMYOUJTPU-UHFFFAOYSA-N
MW238.03 g/mol
LogP1.41
Rot. Bonds

About 1-iodonona-1,3,5,7-tetrayne

1-iodonona-1,3,5,7-tetrayne (PubChem CID 126629440) has the molecular formula C9H3I and a molecular weight of 238.03 g/mol. Its IUPAC name is 1-iodonona-1,3,5,7-tetrayne.

Molecular Properties

Compound Name1-iodonona-1,3,5,7-tetrayne
PubChem CID126629440
Molecular FormulaC9H3I
Molecular Weight238.03 g/mol
Exact Mass237.93
IUPAC Name1-iodonona-1,3,5,7-tetrayne
SMILESCC#CC#CC#CC#CI
InChIInChI=1S/C9H3I/c1-2-3-4-5-6-7-8-9-10/h1H3
InChIKeyGJALOAMYOUJTPU-UHFFFAOYSA-N
XLogP1.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 51.41
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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Related Compounds

CID 10197944
CID 10197944
CID 59386478
CID 59386478
CID 142419
CID 142419
CID 58034547
CID 58034547
CID 58445398
CID 58445398
CID 58445399
CID 58445399
CID 90295865
CID 90295865
CID 126629438
CID 126629438
CID 126629441
CID 126629441
CID 126629442
CID 126629442
CID 126629443
CID 126629443
CID 126629445
CID 126629445

Frequently Asked Questions

What is the IUPAC name of 1-iodonona-1,3,5,7-tetrayne?
The IUPAC name of 1-iodonona-1,3,5,7-tetrayne (CID 126629440) is 1-iodonona-1,3,5,7-tetrayne.
What is the SMILES notation for 1-iodonona-1,3,5,7-tetrayne?
The canonical SMILES for 1-iodonona-1,3,5,7-tetrayne is CC#CC#CC#CC#CI.
What is the InChIKey of 1-iodonona-1,3,5,7-tetrayne?
The InChIKey is GJALOAMYOUJTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3I/c1-2-3-4-5-6-7-8-9-10/h1H3.
What are the key properties of 1-iodonona-1,3,5,7-tetrayne?
1-iodonona-1,3,5,7-tetrayne has a molecular weight of 238.03 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodonona-1,3,5,7-tetrayne is sourced from PubChem (CID 126629440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).