2-ethyl-2-(iodomethyl)-1,3-dioxolane

C6H11IO2 — CID 13331255

IUPAC2-ethyl-2-(iodomethyl)-1,3-dioxolane
SMILESCCC1(CI)OCCO1
InChIInChI=1S/C6H11IO2/c1-2-6(5-7)8-3-4-9-6/h2-5H2,1H3
InChIKeyUIUSQBRPOZGIBZ-UHFFFAOYSA-N
MW242.06 g/mol
LogP1.57
Rot. Bonds2

About 2-ethyl-2-(iodomethyl)-1,3-dioxolane

2-ethyl-2-(iodomethyl)-1,3-dioxolane (PubChem CID 13331255) has the molecular formula C6H11IO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 2-ethyl-2-(iodomethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-2-(iodomethyl)-1,3-dioxolane
PubChem CID13331255
Molecular FormulaC6H11IO2
Molecular Weight242.06 g/mol
Exact Mass241.98
IUPAC Name2-ethyl-2-(iodomethyl)-1,3-dioxolane
SMILESCCC1(CI)OCCO1
InChIInChI=1S/C6H11IO2/c1-2-6(5-7)8-3-4-9-6/h2-5H2,1H3
InChIKeyUIUSQBRPOZGIBZ-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-ethyl-2-(iodomethyl)-1,3-dioxolane?
The IUPAC name of 2-ethyl-2-(iodomethyl)-1,3-dioxolane (CID 13331255) is 2-ethyl-2-(iodomethyl)-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-2-(iodomethyl)-1,3-dioxolane?
The canonical SMILES for 2-ethyl-2-(iodomethyl)-1,3-dioxolane is CCC1(CI)OCCO1.
What is the InChIKey of 2-ethyl-2-(iodomethyl)-1,3-dioxolane?
The InChIKey is UIUSQBRPOZGIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO2/c1-2-6(5-7)8-3-4-9-6/h2-5H2,1H3.
What are the key properties of 2-ethyl-2-(iodomethyl)-1,3-dioxolane?
2-ethyl-2-(iodomethyl)-1,3-dioxolane has a molecular weight of 242.06 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(iodomethyl)-1,3-dioxolane is sourced from PubChem (CID 13331255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).