[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate

C13H19IO4 — CID 134988647

IUPAC[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate
SMILESCC1(C)COC(=O)[C@@H]1OC(=O)[C@H](I)C1CCCC1
InChIInChI=1S/C13H19IO4/c1-13(2)7-17-12(16)10(13)18-11(15)9(14)8-5-3-4-6-8/h8-10H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyOXNHTQJXODCVAN-ZJUUUORDSA-N
MW366.20 g/mol
LogP2.47
Rot. Bonds3

About [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate (PubChem CID 134988647) has the molecular formula C13H19IO4 and a molecular weight of 366.20 g/mol. Its IUPAC name is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate.

Molecular Properties

Compound Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate
PubChem CID134988647
Molecular FormulaC13H19IO4
Molecular Weight366.20 g/mol
Exact Mass366.03
IUPAC Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate
SMILESCC1(C)COC(=O)[C@@H]1OC(=O)[C@H](I)C1CCCC1
InChIInChI=1S/C13H19IO4/c1-13(2)7-17-12(16)10(13)18-11(15)9(14)8-5-3-4-6-8/h8-10H,3-7H2,1-2H3/t9-,10+/m1/s1
InChIKeyOXNHTQJXODCVAN-ZJUUUORDSA-N
XLogP2.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate 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 [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate?
The IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate (CID 134988647) is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate.
What is the SMILES notation for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate?
The canonical SMILES for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate is CC1(C)COC(=O)[C@@H]1OC(=O)[C@H](I)C1CCCC1.
What is the InChIKey of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate?
The InChIKey is OXNHTQJXODCVAN-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H19IO4/c1-13(2)7-17-12(16)10(13)18-11(15)9(14)8-5-3-4-6-8/h8-10H,3-7H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate?
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate has a molecular weight of 366.20 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate is sourced from PubChem (CID 134988647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).