[(E)-3-iodoprop-2-enyl] carbonochloridate

C4H4ClIO2 — CID 10538414

IUPAC[(E)-3-iodoprop-2-enyl] carbonochloridate
SMILESO=C(Cl)OC/C=C/I
InChIInChI=1S/C4H4ClIO2/c5-4(7)8-3-1-2-6/h1-2H,3H2/b2-1+
InChIKeyHUJFDOXPFRIOSK-OWOJBTEDSA-N
MW246.43 g/mol
LogP2.31
Rot. Bonds2

About [(E)-3-iodoprop-2-enyl] carbonochloridate

[(E)-3-iodoprop-2-enyl] carbonochloridate (PubChem CID 10538414) has the molecular formula C4H4ClIO2 and a molecular weight of 246.43 g/mol. Its IUPAC name is [(E)-3-iodoprop-2-enyl] carbonochloridate.

Molecular Properties

Compound Name[(E)-3-iodoprop-2-enyl] carbonochloridate
PubChem CID10538414
Molecular FormulaC4H4ClIO2
Molecular Weight246.43 g/mol
Exact Mass245.89
IUPAC Name[(E)-3-iodoprop-2-enyl] carbonochloridate
SMILESO=C(Cl)OC/C=C/I
InChIInChI=1S/C4H4ClIO2/c5-4(7)8-3-1-2-6/h1-2H,3H2/b2-1+
InChIKeyHUJFDOXPFRIOSK-OWOJBTEDSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-iodoprop-2-enyl] carbonochloridate?
The IUPAC name of [(E)-3-iodoprop-2-enyl] carbonochloridate (CID 10538414) is [(E)-3-iodoprop-2-enyl] carbonochloridate.
What is the SMILES notation for [(E)-3-iodoprop-2-enyl] carbonochloridate?
The canonical SMILES for [(E)-3-iodoprop-2-enyl] carbonochloridate is O=C(Cl)OC/C=C/I.
What is the InChIKey of [(E)-3-iodoprop-2-enyl] carbonochloridate?
The InChIKey is HUJFDOXPFRIOSK-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H4ClIO2/c5-4(7)8-3-1-2-6/h1-2H,3H2/b2-1+.
What are the key properties of [(E)-3-iodoprop-2-enyl] carbonochloridate?
[(E)-3-iodoprop-2-enyl] carbonochloridate has a molecular weight of 246.43 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-iodoprop-2-enyl] carbonochloridate is sourced from PubChem (CID 10538414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).