1-iodo-1-(1-iodoethoxy)ethane

C4H8I2O — CID 10860367

IUPAC1-iodo-1-(1-iodoethoxy)ethane
SMILESCC(I)OC(C)I
InChIInChI=1S/C4H8I2O/c1-3(5)7-4(2)6/h3-4H,1-2H3
InChIKeyHVBHAVYPYAOPBT-UHFFFAOYSA-N
MW325.92 g/mol
LogP2.57
Rot. Bonds2

About 1-iodo-1-(1-iodoethoxy)ethane

1-iodo-1-(1-iodoethoxy)ethane (PubChem CID 10860367) has the molecular formula C4H8I2O and a molecular weight of 325.92 g/mol. Its IUPAC name is 1-iodo-1-(1-iodoethoxy)ethane.

Molecular Properties

Compound Name1-iodo-1-(1-iodoethoxy)ethane
PubChem CID10860367
Molecular FormulaC4H8I2O
Molecular Weight325.92 g/mol
Exact Mass325.87
IUPAC Name1-iodo-1-(1-iodoethoxy)ethane
SMILESCC(I)OC(C)I
InChIInChI=1S/C4H8I2O/c1-3(5)7-4(2)6/h3-4H,1-2H3
InChIKeyHVBHAVYPYAOPBT-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.92
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Iodo-2-(2-iodoethoxy)ethane
CID 3430779
1-Iodo-3-methoxypropane
CID 13522989
1-Ethoxy-3-iodopropane
CID 12841433
2-Iodo-1-methoxypropane
CID 54006994
1-Ethoxy-2-iodoethane
CID 13869709
1-(2-Iodoethoxy)-butane
CID 21522244
Magnesium iodide etherate
CID 11057278
1-Iodo-3-(iodomethoxy)propane
CID 14661364
Jodather
CID 18791944
Ethyl 2-iodopropyl ether
CID 59112647
1-Iodo-2-(1-iodopropan-2-yloxy)propane
CID 73892343
Ethoxyethane;triiodoalumane
CID 139244105

Frequently Asked Questions

What is the IUPAC name of 1-iodo-1-(1-iodoethoxy)ethane?
The IUPAC name of 1-iodo-1-(1-iodoethoxy)ethane (CID 10860367) is 1-iodo-1-(1-iodoethoxy)ethane.
What is the SMILES notation for 1-iodo-1-(1-iodoethoxy)ethane?
The canonical SMILES for 1-iodo-1-(1-iodoethoxy)ethane is CC(I)OC(C)I.
What is the InChIKey of 1-iodo-1-(1-iodoethoxy)ethane?
The InChIKey is HVBHAVYPYAOPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8I2O/c1-3(5)7-4(2)6/h3-4H,1-2H3.
What are the key properties of 1-iodo-1-(1-iodoethoxy)ethane?
1-iodo-1-(1-iodoethoxy)ethane has a molecular weight of 325.92 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-1-(1-iodoethoxy)ethane is sourced from PubChem (CID 10860367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).