3,9-diiodonon-1-ene-1,1,2-triol

C9H16I2O3 — CID 118276205

IUPAC3,9-diiodonon-1-ene-1,1,2-triol
SMILESOC(O)=C(O)C(I)CCCCCCI
InChIInChI=1S/C9H16I2O3/c10-6-4-2-1-3-5-7(11)8(12)9(13)14/h7,12-14H,1-6H2
InChIKeyXMODIJQWGZDRGN-UHFFFAOYSA-N
MW426.03 g/mol
LogP4.02
Rot. Bonds7

About 3,9-diiodonon-1-ene-1,1,2-triol

3,9-diiodonon-1-ene-1,1,2-triol (PubChem CID 118276205) has the molecular formula C9H16I2O3 and a molecular weight of 426.03 g/mol. Its IUPAC name is 3,9-diiodonon-1-ene-1,1,2-triol.

Molecular Properties

Compound Name3,9-diiodonon-1-ene-1,1,2-triol
PubChem CID118276205
Molecular FormulaC9H16I2O3
Molecular Weight426.03 g/mol
Exact Mass425.92
IUPAC Name3,9-diiodonon-1-ene-1,1,2-triol
SMILESOC(O)=C(O)C(I)CCCCCCI
InChIInChI=1S/C9H16I2O3/c10-6-4-2-1-3-5-7(11)8(12)9(13)14/h7,12-14H,1-6H2
InChIKeyXMODIJQWGZDRGN-UHFFFAOYSA-N
XLogP4.02
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.03
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3,9-diiodonon-1-ene-1,1,2-triol 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

1,8-diiodononane
CID 168864675
(1R)-1,11-diiodoundecan-1-amine
CID 138602869
1,2,11-triiodoundecane
CID 19808234
1,7-diiodooctane
CID 168864689
3,4,9-triiodonon-1-ene-1,1-diol
CID 118275824
(2S)-8-iodooctan-2-ol
CID 139766789
1,11-diiodoundecane
CID 4060847
2-amino-8-iodooctanoic acid
CID 86114195
1-iodo-21-methyldocosane
CID 140840720
benzyl 2,6-diiodohexanoate
CID 22111708
2-tert-butyl-11-iodoundecanoic acid
CID 88526895
2-iodotetradecanoic acid
CID 536352

Frequently Asked Questions

What is the IUPAC name of 3,9-diiodonon-1-ene-1,1,2-triol?
The IUPAC name of 3,9-diiodonon-1-ene-1,1,2-triol (CID 118276205) is 3,9-diiodonon-1-ene-1,1,2-triol.
What is the SMILES notation for 3,9-diiodonon-1-ene-1,1,2-triol?
The canonical SMILES for 3,9-diiodonon-1-ene-1,1,2-triol is OC(O)=C(O)C(I)CCCCCCI.
What is the InChIKey of 3,9-diiodonon-1-ene-1,1,2-triol?
The InChIKey is XMODIJQWGZDRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16I2O3/c10-6-4-2-1-3-5-7(11)8(12)9(13)14/h7,12-14H,1-6H2.
What are the key properties of 3,9-diiodonon-1-ene-1,1,2-triol?
3,9-diiodonon-1-ene-1,1,2-triol has a molecular weight of 426.03 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diiodonon-1-ene-1,1,2-triol is sourced from PubChem (CID 118276205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).