6-(iodomethyl)-5-oxaspiro[3.4]octane

C8H13IO — CID 126970885

IUPAC6-(iodomethyl)-5-oxaspiro[3.4]octane
SMILESICC1CCC2(CCC2)O1
InChIInChI=1S/C8H13IO/c9-6-7-2-5-8(10-7)3-1-4-8/h7H,1-6H2
InChIKeyVMYZCPNTCWXXOX-UHFFFAOYSA-N
MW252.09 g/mol
LogP2.52
Rot. Bonds1

About 6-(iodomethyl)-5-oxaspiro[3.4]octane

6-(iodomethyl)-5-oxaspiro[3.4]octane (PubChem CID 126970885) has the molecular formula C8H13IO and a molecular weight of 252.09 g/mol. Its IUPAC name is 6-(iodomethyl)-5-oxaspiro[3.4]octane.

Molecular Properties

Compound Name6-(iodomethyl)-5-oxaspiro[3.4]octane
PubChem CID126970885
Molecular FormulaC8H13IO
Molecular Weight252.09 g/mol
Exact Mass252.00
IUPAC Name6-(iodomethyl)-5-oxaspiro[3.4]octane
SMILESICC1CCC2(CCC2)O1
InChIInChI=1S/C8H13IO/c9-6-7-2-5-8(10-7)3-1-4-8/h7H,1-6H2
InChIKeyVMYZCPNTCWXXOX-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.09
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(iodomethyl)-5-oxaspiro[3.4]octane?
The IUPAC name of 6-(iodomethyl)-5-oxaspiro[3.4]octane (CID 126970885) is 6-(iodomethyl)-5-oxaspiro[3.4]octane.
What is the SMILES notation for 6-(iodomethyl)-5-oxaspiro[3.4]octane?
The canonical SMILES for 6-(iodomethyl)-5-oxaspiro[3.4]octane is ICC1CCC2(CCC2)O1.
What is the InChIKey of 6-(iodomethyl)-5-oxaspiro[3.4]octane?
The InChIKey is VMYZCPNTCWXXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IO/c9-6-7-2-5-8(10-7)3-1-4-8/h7H,1-6H2.
What are the key properties of 6-(iodomethyl)-5-oxaspiro[3.4]octane?
6-(iodomethyl)-5-oxaspiro[3.4]octane has a molecular weight of 252.09 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(iodomethyl)-5-oxaspiro[3.4]octane is sourced from PubChem (CID 126970885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).