(1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol

C9H13IO3 — CID 66634577

IUPAC(1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol
SMILESO[C@@H]1C=C[C@H](O[C@@H]2OCC[C@@H]2I)C1
InChIInChI=1S/C9H13IO3/c10-8-3-4-12-9(8)13-7-2-1-6(11)5-7/h1-2,6-9,11H,3-5H2/t6-,7+,8+,9+/m1/s1
InChIKeyJRSACPLAGJWACT-XGEHTFHBSA-N
MW296.10 g/mol
LogP1.24
Rot. Bonds2

About (1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol

(1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol (PubChem CID 66634577) has the molecular formula C9H13IO3 and a molecular weight of 296.10 g/mol. Its IUPAC name is (1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol
PubChem CID66634577
Molecular FormulaC9H13IO3
Molecular Weight296.10 g/mol
Exact Mass295.99
IUPAC Name(1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol
SMILESO[C@@H]1C=C[C@H](O[C@@H]2OCC[C@@H]2I)C1
InChIInChI=1S/C9H13IO3/c10-8-3-4-12-9(8)13-7-2-1-6(11)5-7/h1-2,6-9,11H,3-5H2/t6-,7+,8+,9+/m1/s1
InChIKeyJRSACPLAGJWACT-XGEHTFHBSA-N
XLogP1.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.10
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol 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 (1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol?
The IUPAC name of (1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol (CID 66634577) is (1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol is O[C@@H]1C=C[C@H](O[C@@H]2OCC[C@@H]2I)C1.
What is the InChIKey of (1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol?
The InChIKey is JRSACPLAGJWACT-XGEHTFHBSA-N. The full InChI is InChI=1S/C9H13IO3/c10-8-3-4-12-9(8)13-7-2-1-6(11)5-7/h1-2,6-9,11H,3-5H2/t6-,7+,8+,9+/m1/s1.
What are the key properties of (1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol?
(1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol has a molecular weight of 296.10 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-[(2S,3S)-3-iodooxolan-2-yl]oxycyclopent-2-en-1-ol is sourced from PubChem (CID 66634577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).