1-iodonona-1,3-diyne

C9H11I — CID 11806932

IUPAC1-iodonona-1,3-diyne
SMILESCCCCCC#CC#CI
InChIInChI=1S/C9H11I/c1-2-3-4-5-6-7-8-9-10/h2-5H2,1H3
InChIKeyYPCGPTHQVWPDOY-UHFFFAOYSA-N
MW246.09 g/mol
LogP2.97
Rot. Bonds3

About 1-iodonona-1,3-diyne

1-iodonona-1,3-diyne (PubChem CID 11806932) has the molecular formula C9H11I and a molecular weight of 246.09 g/mol. Its IUPAC name is 1-iodonona-1,3-diyne.

Molecular Properties

Compound Name1-iodonona-1,3-diyne
PubChem CID11806932
Molecular FormulaC9H11I
Molecular Weight246.09 g/mol
Exact Mass245.99
IUPAC Name1-iodonona-1,3-diyne
SMILESCCCCCC#CC#CI
InChIInChI=1S/C9H11I/c1-2-3-4-5-6-7-8-9-10/h2-5H2,1H3
InChIKeyYPCGPTHQVWPDOY-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-iodonona-1,3-diyne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
1-iodoundec-1-yne
CID 22678053
1-iodoicos-1-yne
CID 138490318
undeca-3,5-diyn-1-ol
CID 15306342
henicosa-2,4,6,8,10,12,14-heptayne
CID 176741061
hept-1-yne;nonadeca-6,8-diyne
CID 91221383
dodeca-2,4-diyn-1-ol
CID 11816199
henicos-8-yne
CID 22224321
2-methylundeca-3,5-diyne
CID 90780674
1-bromododeca-5,7-diyne
CID 125480543
trimethyl(tetracosa-5,7-diynyl)azanium
CID 101024273
1-iodooct-2-yne
CID 11276399

Frequently Asked Questions

What is the IUPAC name of 1-iodonona-1,3-diyne?
The IUPAC name of 1-iodonona-1,3-diyne (CID 11806932) is 1-iodonona-1,3-diyne.
What is the SMILES notation for 1-iodonona-1,3-diyne?
The canonical SMILES for 1-iodonona-1,3-diyne is CCCCCC#CC#CI.
What is the InChIKey of 1-iodonona-1,3-diyne?
The InChIKey is YPCGPTHQVWPDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11I/c1-2-3-4-5-6-7-8-9-10/h2-5H2,1H3.
What are the key properties of 1-iodonona-1,3-diyne?
1-iodonona-1,3-diyne has a molecular weight of 246.09 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodonona-1,3-diyne is sourced from PubChem (CID 11806932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).