8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane

C8H13IO2 — CID 58024225

IUPAC8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane
SMILESICC1CCC2(C1)OCCO2
InChIInChI=1S/C8H13IO2/c9-6-7-1-2-8(5-7)10-3-4-11-8/h7H,1-6H2
InChIKeyJSKRZDVZAALDJE-UHFFFAOYSA-N
MW268.09 g/mol
LogP1.96
Rot. Bonds1

About 8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane

8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane (PubChem CID 58024225) has the molecular formula C8H13IO2 and a molecular weight of 268.09 g/mol. Its IUPAC name is 8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane
PubChem CID58024225
Molecular FormulaC8H13IO2
Molecular Weight268.09 g/mol
Exact Mass268.00
IUPAC Name8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane
SMILESICC1CCC2(C1)OCCO2
InChIInChI=1S/C8H13IO2/c9-6-7-1-2-8(5-7)10-3-4-11-8/h7H,1-6H2
InChIKeyJSKRZDVZAALDJE-UHFFFAOYSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 51.96
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 8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of 8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane (CID 58024225) is 8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for 8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for 8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane is ICC1CCC2(C1)OCCO2.
What is the InChIKey of 8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane?
The InChIKey is JSKRZDVZAALDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IO2/c9-6-7-1-2-8(5-7)10-3-4-11-8/h7H,1-6H2.
What are the key properties of 8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane?
8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane has a molecular weight of 268.09 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(iodomethyl)-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 58024225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).