[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-3-cyclohexyl-2-iodopropanoate

C15H23IO4 — CID 134919596

IUPAC[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-3-cyclohexyl-2-iodopropanoate
SMILESCC1(C)COC(=O)[C@@H]1OC(=O)[C@H](I)CC1CCCCC1
InChIInChI=1S/C15H23IO4/c1-15(2)9-19-14(18)12(15)20-13(17)11(16)8-10-6-4-3-5-7-10/h10-12H,3-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyNEJICMLGISKLIR-NEPJUHHUSA-N
MW394.25 g/mol
LogP3.26
Rot. Bonds4

About [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-3-cyclohexyl-2-iodopropanoate

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-3-cyclohexyl-2-iodopropanoate (PubChem CID 134919596) has the molecular formula C15H23IO4 and a molecular weight of 394.25 g/mol. Its IUPAC name is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-3-cyclohexyl-2-iodopropanoate.

Molecular Properties

Compound Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-3-cyclohexyl-2-iodopropanoate
PubChem CID134919596
Molecular FormulaC15H23IO4
Molecular Weight394.25 g/mol
Exact Mass394.06
IUPAC Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-3-cyclohexyl-2-iodopropanoate
SMILESCC1(C)COC(=O)[C@@H]1OC(=O)[C@H](I)CC1CCCCC1
InChIInChI=1S/C15H23IO4/c1-15(2)9-19-14(18)12(15)20-13(17)11(16)8-10-6-4-3-5-7-10/h10-12H,3-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyNEJICMLGISKLIR-NEPJUHHUSA-N
XLogP3.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 53.26
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)-3-cyclohexyl-2-iodopropanoate with MolForge

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

Launch Full Analysis

Related Compounds

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] octanoate
CID 155531685
(6,6,7,7-Tetrafluoro-2-oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate
CID 58205878
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2S)-2-cyclopentyl-2-iodoacetate
CID 11824686
methyl (2S)-2-acetyloxy-2-cyclohexylacetate
CID 101044598
(3S,5R)-5-[(1R)-1-iodo-3-methylbutyl]-3-(2-methylpropoxy)oxolan-2-one
CID 134918759
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2S)-3-cyclohexyl-2-iodopropanoate
CID 134919574
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-2-cyclopentyl-2-iodoacetate
CID 134988647
(3S,5S)-5-[(1R)-1-iodo-3-methylbutyl]-3-(2-methylpropoxy)oxolan-2-one
CID 134989538
Ethyl 2-acetyloxy-2-cyclohexylacetate
CID 12250252
(1-Ethoxy-3-methyl-1-oxobutan-2-yl) 1-methylcyclohexane-1-carboxylate
CID 58097045
(2-Oxo-1-oxaspiro[4.5]decan-3-yl) 2,2-dimethylbutanoate
CID 58819239
(2-oxo-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-3-yl) 2,2-dimethylbutanoate
CID 59711374

Frequently Asked Questions

What is the IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-3-cyclohexyl-2-iodopropanoate?
The IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-3-cyclohexyl-2-iodopropanoate (CID 134919596) is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-3-cyclohexyl-2-iodopropanoate.
What is the SMILES notation for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-3-cyclohexyl-2-iodopropanoate?
The canonical SMILES for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-3-cyclohexyl-2-iodopropanoate is CC1(C)COC(=O)[C@@H]1OC(=O)[C@H](I)CC1CCCCC1.
What is the InChIKey of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-3-cyclohexyl-2-iodopropanoate?
The InChIKey is NEJICMLGISKLIR-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H23IO4/c1-15(2)9-19-14(18)12(15)20-13(17)11(16)8-10-6-4-3-5-7-10/h10-12H,3-9H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-3-cyclohexyl-2-iodopropanoate?
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (2R)-3-cyclohexyl-2-iodopropanoate has a molecular weight of 394.25 g/mol, XLogP of 3.26, 4 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)-3-cyclohexyl-2-iodopropanoate is sourced from PubChem (CID 134919596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).