1-(2-iodoethenoxy)propane

C5H9IO — CID 141099280

IUPAC1-(2-iodoethenoxy)propane
SMILESCCCOC=CI
InChIInChI=1S/C5H9IO/c1-2-4-7-5-3-6/h3,5H,2,4H2,1H3
InChIKeyURIFOOWUGCOEPI-UHFFFAOYSA-N
MW212.03 g/mol
LogP2.32
Rot. Bonds3

About 1-(2-iodoethenoxy)propane

1-(2-iodoethenoxy)propane (PubChem CID 141099280) has the molecular formula C5H9IO and a molecular weight of 212.03 g/mol. Its IUPAC name is 1-(2-iodoethenoxy)propane.

Molecular Properties

Compound Name1-(2-iodoethenoxy)propane
PubChem CID141099280
Molecular FormulaC5H9IO
Molecular Weight212.03 g/mol
Exact Mass211.97
IUPAC Name1-(2-iodoethenoxy)propane
SMILESCCCOC=CI
InChIInChI=1S/C5H9IO/c1-2-4-7-5-3-6/h3,5H,2,4H2,1H3
InChIKeyURIFOOWUGCOEPI-UHFFFAOYSA-N
XLogP2.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-propoxyethenoxy)ethenoxy]propane
CID 90807044
1-(2-ethoxyethenoxy)propane
CID 154115390
2-(2-iodoethenoxy)ethanol
CID 175246550
1-propoxy-3-(3-propoxyprop-2-enoxy)prop-1-ene
CID 141057914
(E)-1-propoxypent-1-en-3-yne
CID 23262411
2-propoxyethenesulfonic acid
CID 76548154
butyl 2-oxo-4-propoxybut-3-enoate
CID 86213510
1-propoxyprop-1-en-2-ol
CID 88536720
(E)-1-iodo-2-methoxyethene
CID 140517862
1-(2-methoxyethoxy)but-1-ene
CID 54192618
1-[(E)-but-1-enoxy]butane
CID 5364928
2-methyl-1-propoxybut-1-ene
CID 91198308

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodoethenoxy)propane?
The IUPAC name of 1-(2-iodoethenoxy)propane (CID 141099280) is 1-(2-iodoethenoxy)propane.
What is the SMILES notation for 1-(2-iodoethenoxy)propane?
The canonical SMILES for 1-(2-iodoethenoxy)propane is CCCOC=CI.
What is the InChIKey of 1-(2-iodoethenoxy)propane?
The InChIKey is URIFOOWUGCOEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9IO/c1-2-4-7-5-3-6/h3,5H,2,4H2,1H3.
What are the key properties of 1-(2-iodoethenoxy)propane?
1-(2-iodoethenoxy)propane has a molecular weight of 212.03 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodoethenoxy)propane is sourced from PubChem (CID 141099280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).