(6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane

C7H11IO — CID 125455243

IUPAC(6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane
SMILESIC[C@H]1CC2(CC2)CO1
InChIInChI=1S/C7H11IO/c8-4-6-3-7(1-2-7)5-9-6/h6H,1-5H2/t6-/m1/s1
InChIKeyBXKPLCBMQBFODT-ZCFIWIBFSA-N
MW238.07 g/mol
LogP1.99
Rot. Bonds1

About (6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane

(6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane (PubChem CID 125455243) has the molecular formula C7H11IO and a molecular weight of 238.07 g/mol. Its IUPAC name is (6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane.

Molecular Properties

Compound Name(6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane
PubChem CID125455243
Molecular FormulaC7H11IO
Molecular Weight238.07 g/mol
Exact Mass237.99
IUPAC Name(6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane
SMILESIC[C@H]1CC2(CC2)CO1
InChIInChI=1S/C7H11IO/c8-4-6-3-7(1-2-7)5-9-6/h6H,1-5H2/t6-/m1/s1
InChIKeyBXKPLCBMQBFODT-ZCFIWIBFSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 51.99
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 (6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane?
The IUPAC name of (6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane (CID 125455243) is (6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane.
What is the SMILES notation for (6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane?
The canonical SMILES for (6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane is IC[C@H]1CC2(CC2)CO1.
What is the InChIKey of (6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane?
The InChIKey is BXKPLCBMQBFODT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11IO/c8-4-6-3-7(1-2-7)5-9-6/h6H,1-5H2/t6-/m1/s1.
What are the key properties of (6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane?
(6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane has a molecular weight of 238.07 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(iodomethyl)-5-oxaspiro[2.4]heptane is sourced from PubChem (CID 125455243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).