2-[(E)-3-iodoprop-2-enoxy]oxane

C8H13IO2 — CID 11832382

IUPAC2-[(E)-3-iodoprop-2-enoxy]oxane
SMILESI/C=C/COC1CCCCO1
InChIInChI=1S/C8H13IO2/c9-5-3-7-11-8-4-1-2-6-10-8/h3,5,8H,1-2,4,6-7H2/b5-3+
InChIKeyDUHKMASEUMGGST-HWKANZROSA-N
MW268.09 g/mol
LogP2.48
Rot. Bonds3

About 2-[(E)-3-iodoprop-2-enoxy]oxane

2-[(E)-3-iodoprop-2-enoxy]oxane (PubChem CID 11832382) has the molecular formula C8H13IO2 and a molecular weight of 268.09 g/mol. Its IUPAC name is 2-[(E)-3-iodoprop-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-3-iodoprop-2-enoxy]oxane
PubChem CID11832382
Molecular FormulaC8H13IO2
Molecular Weight268.09 g/mol
Exact Mass268.00
IUPAC Name2-[(E)-3-iodoprop-2-enoxy]oxane
SMILESI/C=C/COC1CCCCO1
InChIInChI=1S/C8H13IO2/c9-5-3-7-11-8-4-1-2-6-10-8/h3,5,8H,1-2,4,6-7H2/b5-3+
InChIKeyDUHKMASEUMGGST-HWKANZROSA-N
XLogP2.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 52.48
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-iodoprop-2-enoxy]oxane?
The IUPAC name of 2-[(E)-3-iodoprop-2-enoxy]oxane (CID 11832382) is 2-[(E)-3-iodoprop-2-enoxy]oxane.
What is the SMILES notation for 2-[(E)-3-iodoprop-2-enoxy]oxane?
The canonical SMILES for 2-[(E)-3-iodoprop-2-enoxy]oxane is I/C=C/COC1CCCCO1.
What is the InChIKey of 2-[(E)-3-iodoprop-2-enoxy]oxane?
The InChIKey is DUHKMASEUMGGST-HWKANZROSA-N. The full InChI is InChI=1S/C8H13IO2/c9-5-3-7-11-8-4-1-2-6-10-8/h3,5,8H,1-2,4,6-7H2/b5-3+.
What are the key properties of 2-[(E)-3-iodoprop-2-enoxy]oxane?
2-[(E)-3-iodoprop-2-enoxy]oxane has a molecular weight of 268.09 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-iodoprop-2-enoxy]oxane is sourced from PubChem (CID 11832382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).