diiodomethyl hydrogen carbonate

C2H2I2O3 — CID 20518341

IUPACdiiodomethyl hydrogen carbonate
SMILESO=C(O)OC(I)I
InChIInChI=1S/C2H2I2O3/c3-1(4)7-2(5)6/h1H,(H,5,6)
InChIKeyNSZADXMPGJJGPC-UHFFFAOYSA-N
MW327.84 g/mol
LogP1.83
Rot. Bonds1

About diiodomethyl hydrogen carbonate

diiodomethyl hydrogen carbonate (PubChem CID 20518341) has the molecular formula C2H2I2O3 and a molecular weight of 327.84 g/mol. Its IUPAC name is diiodomethyl hydrogen carbonate.

Molecular Properties

Compound Namediiodomethyl hydrogen carbonate
PubChem CID20518341
Molecular FormulaC2H2I2O3
Molecular Weight327.84 g/mol
Exact Mass327.81
IUPAC Namediiodomethyl hydrogen carbonate
SMILESO=C(O)OC(I)I
InChIInChI=1S/C2H2I2O3/c3-1(4)7-2(5)6/h1H,(H,5,6)
InChIKeyNSZADXMPGJJGPC-UHFFFAOYSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethanol;1-iodoprop-2-ynyl hydrogen carbonate
CID 87902941
carbonic acid;ethene;propan-2-yl hydrogen carbonate
CID 175300658
4-carboxyoxypentan-2-yl hydrogen carbonate
CID 87735224
propan-2-amine;propan-2-yl hydrogen carbonate
CID 173023636
(1-hydroxy-2-methylpropyl) hydrogen carbonate
CID 141230497
1-hydroxyprop-2-enyl hydrogen carbonate
CID 87136419
3-aminobutan-2-yl hydrogen carbonate
CID 172831647
3-chlorobutan-2-yl hydrogen carbonate
CID 18667716
2,6-dimethylheptan-4-yl hydrogen carbonate
CID 154411359
1,2-dimethoxyethane;propan-2-yl hydrogen carbonate
CID 175458709
1,1,1-trichloropropan-2-yl hydrogen carbonate
CID 54020857
carbonic acid;ruthenium
CID 87059075

Frequently Asked Questions

What is the IUPAC name of diiodomethyl hydrogen carbonate?
The IUPAC name of diiodomethyl hydrogen carbonate (CID 20518341) is diiodomethyl hydrogen carbonate.
What is the SMILES notation for diiodomethyl hydrogen carbonate?
The canonical SMILES for diiodomethyl hydrogen carbonate is O=C(O)OC(I)I.
What is the InChIKey of diiodomethyl hydrogen carbonate?
The InChIKey is NSZADXMPGJJGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2I2O3/c3-1(4)7-2(5)6/h1H,(H,5,6).
What are the key properties of diiodomethyl hydrogen carbonate?
diiodomethyl hydrogen carbonate has a molecular weight of 327.84 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diiodomethyl hydrogen carbonate is sourced from PubChem (CID 20518341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).