1-iodo-3-prop-2-enoxypropane

C6H11IO — CID 14356343

IUPAC1-iodo-3-prop-2-enoxypropane
SMILESC=CCOCCCI
InChIInChI=1S/C6H11IO/c1-2-5-8-6-3-4-7/h2H,1,3-6H2
InChIKeyKHHRVAZMCZIMHL-UHFFFAOYSA-N
MW226.06 g/mol
LogP2.01
Rot. Bonds5

About 1-iodo-3-prop-2-enoxypropane

1-iodo-3-prop-2-enoxypropane (PubChem CID 14356343) has the molecular formula C6H11IO and a molecular weight of 226.06 g/mol. Its IUPAC name is 1-iodo-3-prop-2-enoxypropane.

Molecular Properties

Compound Name1-iodo-3-prop-2-enoxypropane
PubChem CID14356343
Molecular FormulaC6H11IO
Molecular Weight226.06 g/mol
Exact Mass225.99
IUPAC Name1-iodo-3-prop-2-enoxypropane
SMILESC=CCOCCCI
InChIInChI=1S/C6H11IO/c1-2-5-8-6-3-4-7/h2H,1,3-6H2
InChIKeyKHHRVAZMCZIMHL-UHFFFAOYSA-N
XLogP2.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 52.01
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 1-iodo-3-prop-2-enoxypropane?
The IUPAC name of 1-iodo-3-prop-2-enoxypropane (CID 14356343) is 1-iodo-3-prop-2-enoxypropane.
What is the SMILES notation for 1-iodo-3-prop-2-enoxypropane?
The canonical SMILES for 1-iodo-3-prop-2-enoxypropane is C=CCOCCCI.
What is the InChIKey of 1-iodo-3-prop-2-enoxypropane?
The InChIKey is KHHRVAZMCZIMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11IO/c1-2-5-8-6-3-4-7/h2H,1,3-6H2.
What are the key properties of 1-iodo-3-prop-2-enoxypropane?
1-iodo-3-prop-2-enoxypropane has a molecular weight of 226.06 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-prop-2-enoxypropane is sourced from PubChem (CID 14356343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).