1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate

C8H12I2O4 — CID 87483119

IUPAC1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate
SMILESCC(OC(=O)C(C)I)OC(=O)C(C)I
InChIInChI=1S/C8H12I2O4/c1-4(9)7(11)13-6(3)14-8(12)5(2)10/h4-6H,1-3H3
InChIKeyVNJNTEPRWYXJJP-UHFFFAOYSA-N
MW425.99 g/mol
LogP2.07
Rot. Bonds4

About 1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate

1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate (PubChem CID 87483119) has the molecular formula C8H12I2O4 and a molecular weight of 425.99 g/mol. Its IUPAC name is 1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate.

Molecular Properties

Compound Name1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate
PubChem CID87483119
Molecular FormulaC8H12I2O4
Molecular Weight425.99 g/mol
Exact Mass425.88
IUPAC Name1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate
SMILESCC(OC(=O)C(C)I)OC(=O)C(C)I
InChIInChI=1S/C8H12I2O4/c1-4(9)7(11)13-6(3)14-8(12)5(2)10/h4-6H,1-3H3
InChIKeyVNJNTEPRWYXJJP-UHFFFAOYSA-N
XLogP2.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.99
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(2-iodopropanoyloxy)ethyl 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

2-(2-iodopropanoyloxy)ethyl 2-methylpropanoate
CID 166970068
1-carbonochloridoyloxyethyl 2-methylpropanoate
CID 19067199
(2R,4S)-2,4-diiodopentan-3-one
CID 14977100
methane;1-propanoyloxyethyl 2-methylpropanoate
CID 161244899
1-iodoethyl 2-amino-3-methylbutanoate
CID 122533786
methyl 2-iodo-2-sulfanylacetate
CID 140524293
calcium bis(2-iodopropanoate)
CID 88606274
[2-(2-iodopropanoyloxy)-3-morpholin-4-ylpropyl] 2-iodopropanoate
CID 162509021
1-prop-2-enoyloxyethyl 2-chloropropanoate
CID 89183597
1-carboxyoxyethyl 2-methylpentanoate
CID 153400834
diethyl-[2-(2-iodopropanoyloxy)ethyl]azanium
CID 162508941
1-acetyloxyethyl 2-amino-4-methylpentanoate
CID 87922143

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate?
The IUPAC name of 1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate (CID 87483119) is 1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate.
What is the SMILES notation for 1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate?
The canonical SMILES for 1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate is CC(OC(=O)C(C)I)OC(=O)C(C)I.
What is the InChIKey of 1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate?
The InChIKey is VNJNTEPRWYXJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12I2O4/c1-4(9)7(11)13-6(3)14-8(12)5(2)10/h4-6H,1-3H3.
What are the key properties of 1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate?
1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate has a molecular weight of 425.99 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodopropanoyloxy)ethyl 2-iodopropanoate is sourced from PubChem (CID 87483119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).