6-iodo-1,4-dioxaspiro[4.5]decane

C8H13IO2 — CID 13331253

IUPAC6-iodo-1,4-dioxaspiro[4.5]decane
SMILESIC1CCCCC12OCCO2
InChIInChI=1S/C8H13IO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h7H,1-6H2
InChIKeyHSNQUWFHICPVHT-UHFFFAOYSA-N
MW268.09 g/mol
LogP2.11
Rot. Bonds

About 6-iodo-1,4-dioxaspiro[4.5]decane

6-iodo-1,4-dioxaspiro[4.5]decane (PubChem CID 13331253) has the molecular formula C8H13IO2 and a molecular weight of 268.09 g/mol. Its IUPAC name is 6-iodo-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name6-iodo-1,4-dioxaspiro[4.5]decane
PubChem CID13331253
Molecular FormulaC8H13IO2
Molecular Weight268.09 g/mol
Exact Mass268.00
IUPAC Name6-iodo-1,4-dioxaspiro[4.5]decane
SMILESIC1CCCCC12OCCO2
InChIInChI=1S/C8H13IO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h7H,1-6H2
InChIKeyHSNQUWFHICPVHT-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 52.11
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 6-iodo-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 6-iodo-1,4-dioxaspiro[4.5]decane (CID 13331253) is 6-iodo-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 6-iodo-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 6-iodo-1,4-dioxaspiro[4.5]decane is IC1CCCCC12OCCO2.
What is the InChIKey of 6-iodo-1,4-dioxaspiro[4.5]decane?
The InChIKey is HSNQUWFHICPVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h7H,1-6H2.
What are the key properties of 6-iodo-1,4-dioxaspiro[4.5]decane?
6-iodo-1,4-dioxaspiro[4.5]decane has a molecular weight of 268.09 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 13331253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).