2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane

C9H15IO2 — CID 10945899

IUPAC2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane
SMILESC/C(=C\I)COC1CCCCO1
InChIInChI=1S/C9H15IO2/c1-8(6-10)7-12-9-4-2-3-5-11-9/h6,9H,2-5,7H2,1H3/b8-6+
InChIKeyXMHQZEMLFOWHRI-SOFGYWHQSA-N
MW282.12 g/mol
LogP2.87
Rot. Bonds3

About 2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane

2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane (PubChem CID 10945899) has the molecular formula C9H15IO2 and a molecular weight of 282.12 g/mol. Its IUPAC name is 2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane
PubChem CID10945899
Molecular FormulaC9H15IO2
Molecular Weight282.12 g/mol
Exact Mass282.01
IUPAC Name2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane
SMILESC/C(=C\I)COC1CCCCO1
InChIInChI=1S/C9H15IO2/c1-8(6-10)7-12-9-4-2-3-5-11-9/h6,9H,2-5,7H2,1H3/b8-6+
InChIKeyXMHQZEMLFOWHRI-SOFGYWHQSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane?
The IUPAC name of 2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane (CID 10945899) is 2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane.
What is the SMILES notation for 2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane?
The canonical SMILES for 2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane is C/C(=C\I)COC1CCCCO1.
What is the InChIKey of 2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane?
The InChIKey is XMHQZEMLFOWHRI-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H15IO2/c1-8(6-10)7-12-9-4-2-3-5-11-9/h6,9H,2-5,7H2,1H3/b8-6+.
What are the key properties of 2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane?
2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane has a molecular weight of 282.12 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-iodo-2-methylprop-2-enoxy]oxane is sourced from PubChem (CID 10945899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).