1-ethoxy-2-iodopropane

C5H11IO — CID 59112647

IUPAC1-ethoxy-2-iodopropane
SMILESCCOCC(C)I
InChIInChI=1S/C5H11IO/c1-3-7-4-5(2)6/h5H,3-4H2,1-2H3
InChIKeySTDCUSBQRFAUHK-UHFFFAOYSA-N
MW214.05 g/mol
LogP1.85
Rot. Bonds3

About 1-ethoxy-2-iodopropane

1-ethoxy-2-iodopropane (PubChem CID 59112647) has the molecular formula C5H11IO and a molecular weight of 214.05 g/mol. Its IUPAC name is 1-ethoxy-2-iodopropane.

Molecular Properties

Compound Name1-ethoxy-2-iodopropane
PubChem CID59112647
Molecular FormulaC5H11IO
Molecular Weight214.05 g/mol
Exact Mass213.99
IUPAC Name1-ethoxy-2-iodopropane
SMILESCCOCC(C)I
InChIInChI=1S/C5H11IO/c1-3-7-4-5(2)6/h5H,3-4H2,1-2H3
InChIKeySTDCUSBQRFAUHK-UHFFFAOYSA-N
XLogP1.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 51.85
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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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-iodopropane?
The IUPAC name of 1-ethoxy-2-iodopropane (CID 59112647) is 1-ethoxy-2-iodopropane.
What is the SMILES notation for 1-ethoxy-2-iodopropane?
The canonical SMILES for 1-ethoxy-2-iodopropane is CCOCC(C)I.
What is the InChIKey of 1-ethoxy-2-iodopropane?
The InChIKey is STDCUSBQRFAUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IO/c1-3-7-4-5(2)6/h5H,3-4H2,1-2H3.
What are the key properties of 1-ethoxy-2-iodopropane?
1-ethoxy-2-iodopropane has a molecular weight of 214.05 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-iodopropane is sourced from PubChem (CID 59112647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).