3-(2-iodoethoxy)prop-1-ene

C5H9IO — CID 10867581

IUPAC3-(2-iodoethoxy)prop-1-ene
SMILESC=CCOCCI
InChIInChI=1S/C5H9IO/c1-2-4-7-5-3-6/h2H,1,3-5H2
InChIKeyKMOIQFBJWVVXFI-UHFFFAOYSA-N
MW212.03 g/mol
LogP1.62
Rot. Bonds4

About 3-(2-iodoethoxy)prop-1-ene

3-(2-iodoethoxy)prop-1-ene (PubChem CID 10867581) has the molecular formula C5H9IO and a molecular weight of 212.03 g/mol. Its IUPAC name is 3-(2-iodoethoxy)prop-1-ene.

Molecular Properties

Compound Name3-(2-iodoethoxy)prop-1-ene
PubChem CID10867581
Molecular FormulaC5H9IO
Molecular Weight212.03 g/mol
Exact Mass211.97
IUPAC Name3-(2-iodoethoxy)prop-1-ene
SMILESC=CCOCCI
InChIInChI=1S/C5H9IO/c1-2-4-7-5-3-6/h2H,1,3-5H2
InChIKeyKMOIQFBJWVVXFI-UHFFFAOYSA-N
XLogP1.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-iodoethoxy)prop-1-ene?
The IUPAC name of 3-(2-iodoethoxy)prop-1-ene (CID 10867581) is 3-(2-iodoethoxy)prop-1-ene.
What is the SMILES notation for 3-(2-iodoethoxy)prop-1-ene?
The canonical SMILES for 3-(2-iodoethoxy)prop-1-ene is C=CCOCCI.
What is the InChIKey of 3-(2-iodoethoxy)prop-1-ene?
The InChIKey is KMOIQFBJWVVXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IO/c1-2-4-7-5-3-6/h2H,1,3-5H2.
What are the key properties of 3-(2-iodoethoxy)prop-1-ene?
3-(2-iodoethoxy)prop-1-ene has a molecular weight of 212.03 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodoethoxy)prop-1-ene is sourced from PubChem (CID 10867581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).