(1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane

C6H9IO — CID 59104586

IUPAC(1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane
SMILESC[C@H]1OC[C@@H]2[C@H](I)[C@H]21
InChIInChI=1S/C6H9IO/c1-3-5-4(2-8-3)6(5)7/h3-6H,2H2,1H3/t3-,4+,5+,6+/m1/s1
InChIKeyLFJOZUFBXLWWSD-VANKVMQKSA-N
MW224.04 g/mol
LogP1.45
Rot. Bonds

About (1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane

(1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane (PubChem CID 59104586) has the molecular formula C6H9IO and a molecular weight of 224.04 g/mol. Its IUPAC name is (1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane
PubChem CID59104586
Molecular FormulaC6H9IO
Molecular Weight224.04 g/mol
Exact Mass223.97
IUPAC Name(1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane
SMILESC[C@H]1OC[C@@H]2[C@H](I)[C@H]21
InChIInChI=1S/C6H9IO/c1-3-5-4(2-8-3)6(5)7/h3-6H,2H2,1H3/t3-,4+,5+,6+/m1/s1
InChIKeyLFJOZUFBXLWWSD-VANKVMQKSA-N
XLogP1.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 51.45
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 (1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane?
The IUPAC name of (1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane (CID 59104586) is (1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane is C[C@H]1OC[C@@H]2[C@H](I)[C@H]21.
What is the InChIKey of (1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane?
The InChIKey is LFJOZUFBXLWWSD-VANKVMQKSA-N. The full InChI is InChI=1S/C6H9IO/c1-3-5-4(2-8-3)6(5)7/h3-6H,2H2,1H3/t3-,4+,5+,6+/m1/s1.
What are the key properties of (1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane?
(1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane has a molecular weight of 224.04 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6S)-6-iodo-2-methyl-3-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 59104586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).