2-[(E)-4-iodobut-2-enoxy]oxane

C9H15IO2 — CID 23048303

IUPAC2-[(E)-4-iodobut-2-enoxy]oxane
SMILESIC/C=C/COC1CCCCO1
InChIInChI=1S/C9H15IO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h2,4,9H,1,3,5-8H2/b4-2+
InChIKeyJZGHJOYAWWZVKV-DUXPYHPUSA-N
MW282.12 g/mol
LogP2.52
Rot. Bonds4

About 2-[(E)-4-iodobut-2-enoxy]oxane

2-[(E)-4-iodobut-2-enoxy]oxane (PubChem CID 23048303) has the molecular formula C9H15IO2 and a molecular weight of 282.12 g/mol. Its IUPAC name is 2-[(E)-4-iodobut-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-4-iodobut-2-enoxy]oxane
PubChem CID23048303
Molecular FormulaC9H15IO2
Molecular Weight282.12 g/mol
Exact Mass282.01
IUPAC Name2-[(E)-4-iodobut-2-enoxy]oxane
SMILESIC/C=C/COC1CCCCO1
InChIInChI=1S/C9H15IO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h2,4,9H,1,3,5-8H2/b4-2+
InChIKeyJZGHJOYAWWZVKV-DUXPYHPUSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Allyloxytetrahydropyran
CID 4532059
2-[(E)-3-iodoprop-2-enoxy]oxane
CID 11832382
(2R,3S)-3-iodo-2-prop-2-enoxyoxane
CID 15808097
(2S)-2-prop-2-enoxyoxane
CID 7033617
2-[(E)-but-2-enoxy]oxane
CID 11788432
2-[(Z)-3-fluorobut-2-enoxy]oxane
CID 90381677
2-[(E)-3-fluorobut-2-enoxy]oxane
CID 90381688
2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane
CID 169226620
2-[(Z)-4,4,4-trifluorobut-2-enoxy]oxane
CID 169226637
2-(1,4,4-Trifluorobut-2-enoxy)oxane
CID 175473604
2-[(E)-4-bromobut-2-enoxy]oxane
CID 10752203
3-Iodo-2-(3-methylbut-2-enoxy)oxane
CID 10891766

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-iodobut-2-enoxy]oxane?
The IUPAC name of 2-[(E)-4-iodobut-2-enoxy]oxane (CID 23048303) is 2-[(E)-4-iodobut-2-enoxy]oxane.
What is the SMILES notation for 2-[(E)-4-iodobut-2-enoxy]oxane?
The canonical SMILES for 2-[(E)-4-iodobut-2-enoxy]oxane is IC/C=C/COC1CCCCO1.
What is the InChIKey of 2-[(E)-4-iodobut-2-enoxy]oxane?
The InChIKey is JZGHJOYAWWZVKV-DUXPYHPUSA-N. The full InChI is InChI=1S/C9H15IO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h2,4,9H,1,3,5-8H2/b4-2+.
What are the key properties of 2-[(E)-4-iodobut-2-enoxy]oxane?
2-[(E)-4-iodobut-2-enoxy]oxane has a molecular weight of 282.12 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-iodobut-2-enoxy]oxane is sourced from PubChem (CID 23048303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).