2-(2-iodoprop-2-enoxy)oxane

C8H13IO2 — CID 10923525

IUPAC2-(2-iodoprop-2-enoxy)oxane
SMILESC=C(I)COC1CCCCO1
InChIInChI=1S/C8H13IO2/c1-7(9)6-11-8-4-2-3-5-10-8/h8H,1-6H2
InChIKeyZLAMAUMIEQQSME-UHFFFAOYSA-N
MW268.09 g/mol
LogP2.48
Rot. Bonds3

About 2-(2-iodoprop-2-enoxy)oxane

2-(2-iodoprop-2-enoxy)oxane (PubChem CID 10923525) has the molecular formula C8H13IO2 and a molecular weight of 268.09 g/mol. Its IUPAC name is 2-(2-iodoprop-2-enoxy)oxane.

Molecular Properties

Compound Name2-(2-iodoprop-2-enoxy)oxane
PubChem CID10923525
Molecular FormulaC8H13IO2
Molecular Weight268.09 g/mol
Exact Mass268.00
IUPAC Name2-(2-iodoprop-2-enoxy)oxane
SMILESC=C(I)COC1CCCCO1
InChIInChI=1S/C8H13IO2/c1-7(9)6-11-8-4-2-3-5-10-8/h8H,1-6H2
InChIKeyZLAMAUMIEQQSME-UHFFFAOYSA-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-(2-iodoprop-2-enoxy)oxane?
The IUPAC name of 2-(2-iodoprop-2-enoxy)oxane (CID 10923525) is 2-(2-iodoprop-2-enoxy)oxane.
What is the SMILES notation for 2-(2-iodoprop-2-enoxy)oxane?
The canonical SMILES for 2-(2-iodoprop-2-enoxy)oxane is C=C(I)COC1CCCCO1.
What is the InChIKey of 2-(2-iodoprop-2-enoxy)oxane?
The InChIKey is ZLAMAUMIEQQSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IO2/c1-7(9)6-11-8-4-2-3-5-10-8/h8H,1-6H2.
What are the key properties of 2-(2-iodoprop-2-enoxy)oxane?
2-(2-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-(2-iodoprop-2-enoxy)oxane is sourced from PubChem (CID 10923525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).