2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate

C10H19IO4 — CID 167200781

IUPAC2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate
SMILESCC(COC(=O)C(C)(C)O)OC(C)(C)I
InChIInChI=1S/C10H19IO4/c1-7(15-10(4,5)11)6-14-8(12)9(2,3)13/h7,13H,6H2,1-5H3
InChIKeyPURKFEDEISVCEZ-UHFFFAOYSA-N
MW330.16 g/mol
LogP1.88
Rot. Bonds5

About 2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate

2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate (PubChem CID 167200781) has the molecular formula C10H19IO4 and a molecular weight of 330.16 g/mol. Its IUPAC name is 2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate
PubChem CID167200781
Molecular FormulaC10H19IO4
Molecular Weight330.16 g/mol
Exact Mass330.03
IUPAC Name2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate
SMILESCC(COC(=O)C(C)(C)O)OC(C)(C)I
InChIInChI=1S/C10H19IO4/c1-7(15-10(4,5)11)6-14-8(12)9(2,3)13/h7,13H,6H2,1-5H3
InChIKeyPURKFEDEISVCEZ-UHFFFAOYSA-N
XLogP1.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentyl 2-hydroxy-2-methylpropanoate
CID 89018775
2,3,5-trimethylheptyl 2-hydroxy-2-methylpropanoate
CID 166505142
2,6-dimethylhept-5-enyl 2-hydroxy-2-methylpropanoate
CID 166505129
3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate
CID 166505156
[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
CID 59464527
2-ethoxypropyl 2,2-dimethylbutanoate
CID 177277307
2-methylpropyl 2-amino-2-cyclopropylpropanoate
CID 61277456
[(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate
CID 14535341
bis(2-methylpropyl) 2,2,3-trimethylbutanedioate
CID 22639843
bis(2-methylpropyl) 2,3-diethoxy-2,3-dimethylbutanedioate
CID 139989397
2-methylpropyl 2,2-diethylbutanoate
CID 139972882
bis[2-[2-methyl-1-oxo-1-(2-propan-2-yloxypropoxy)propan-2-yl]oxypropyl] 2,2,4-trimethylpentanedioate
CID 123549682

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate?
The IUPAC name of 2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate (CID 167200781) is 2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate.
What is the SMILES notation for 2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate?
The canonical SMILES for 2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate is CC(COC(=O)C(C)(C)O)OC(C)(C)I.
What is the InChIKey of 2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate?
The InChIKey is PURKFEDEISVCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19IO4/c1-7(15-10(4,5)11)6-14-8(12)9(2,3)13/h7,13H,6H2,1-5H3.
What are the key properties of 2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate?
2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate has a molecular weight of 330.16 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodopropan-2-yloxy)propyl 2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 167200781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).