2-(9-iodononyl)-1,3-dioxolane

C12H23IO2 — CID 10496328

IUPAC2-(9-iodononyl)-1,3-dioxolane
SMILESICCCCCCCCCC1OCCO1
InChIInChI=1S/C12H23IO2/c13-9-7-5-3-1-2-4-6-8-12-14-10-11-15-12/h12H,1-11H2
InChIKeyBSXSVFDZJWZGHI-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.92
Rot. Bonds9

About 2-(9-iodononyl)-1,3-dioxolane

2-(9-iodononyl)-1,3-dioxolane (PubChem CID 10496328) has the molecular formula C12H23IO2 and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-(9-iodononyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(9-iodononyl)-1,3-dioxolane
PubChem CID10496328
Molecular FormulaC12H23IO2
Molecular Weight326.22 g/mol
Exact Mass326.07
IUPAC Name2-(9-iodononyl)-1,3-dioxolane
SMILESICCCCCCCCCC1OCCO1
InChIInChI=1S/C12H23IO2/c13-9-7-5-3-1-2-4-6-8-12-14-10-11-15-12/h12H,1-11H2
InChIKeyBSXSVFDZJWZGHI-UHFFFAOYSA-N
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(9-iodononyl)-1,3-dioxolane?
The IUPAC name of 2-(9-iodononyl)-1,3-dioxolane (CID 10496328) is 2-(9-iodononyl)-1,3-dioxolane.
What is the SMILES notation for 2-(9-iodononyl)-1,3-dioxolane?
The canonical SMILES for 2-(9-iodononyl)-1,3-dioxolane is ICCCCCCCCCC1OCCO1.
What is the InChIKey of 2-(9-iodononyl)-1,3-dioxolane?
The InChIKey is BSXSVFDZJWZGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23IO2/c13-9-7-5-3-1-2-4-6-8-12-14-10-11-15-12/h12H,1-11H2.
What are the key properties of 2-(9-iodononyl)-1,3-dioxolane?
2-(9-iodononyl)-1,3-dioxolane has a molecular weight of 326.22 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-iodononyl)-1,3-dioxolane is sourced from PubChem (CID 10496328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).