(1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]

C8H11IO2 — CID 89135517

IUPAC(1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
SMILESIC1[C@H]2CCC3(OCCO3)[C@@H]12
InChIInChI=1S/C8H11IO2/c9-7-5-1-2-8(6(5)7)10-3-4-11-8/h5-7H,1-4H2/t5-,6+,7?/m0/s1
InChIKeyVSRLWABJMMSLDP-GFCOJPQKSA-N
MW266.08 g/mol
LogP1.57
Rot. Bonds

About (1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]

(1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] (PubChem CID 89135517) has the molecular formula C8H11IO2 and a molecular weight of 266.08 g/mol. Its IUPAC name is (1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane].

Molecular Properties

Compound Name(1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
PubChem CID89135517
Molecular FormulaC8H11IO2
Molecular Weight266.08 g/mol
Exact Mass265.98
IUPAC Name(1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]
SMILESIC1[C@H]2CCC3(OCCO3)[C@@H]12
InChIInChI=1S/C8H11IO2/c9-7-5-1-2-8(6(5)7)10-3-4-11-8/h5-7H,1-4H2/t5-,6+,7?/m0/s1
InChIKeyVSRLWABJMMSLDP-GFCOJPQKSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 51.57
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'}

Analyze (1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
The IUPAC name of (1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] (CID 89135517) is (1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane].
What is the SMILES notation for (1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
The canonical SMILES for (1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] is IC1[C@H]2CCC3(OCCO3)[C@@H]12.
What is the InChIKey of (1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
The InChIKey is VSRLWABJMMSLDP-GFCOJPQKSA-N. The full InChI is InChI=1S/C8H11IO2/c9-7-5-1-2-8(6(5)7)10-3-4-11-8/h5-7H,1-4H2/t5-,6+,7?/m0/s1.
What are the key properties of (1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]?
(1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] has a molecular weight of 266.08 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,5'S)-6'-iodospiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane] is sourced from PubChem (CID 89135517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).