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

C9H15IO2 — CID 12809970

IUPAC2-[(Z)-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-VURMDHGXSA-N
MW282.12 g/mol
LogP2.87
Rot. Bonds3

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

2-[(Z)-3-iodo-2-methylprop-2-enoxy]oxane (PubChem CID 12809970) has the molecular formula C9H15IO2 and a molecular weight of 282.12 g/mol. Its IUPAC name is 2-[(Z)-3-iodo-2-methylprop-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-3-iodo-2-methylprop-2-enoxy]oxane
PubChem CID12809970
Molecular FormulaC9H15IO2
Molecular Weight282.12 g/mol
Exact Mass282.01
IUPAC Name2-[(Z)-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-VURMDHGXSA-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'}

Analyze 2-[(Z)-3-iodo-2-methylprop-2-enoxy]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-iodo-2-methylprop-2-enoxy]oxane?
The IUPAC name of 2-[(Z)-3-iodo-2-methylprop-2-enoxy]oxane (CID 12809970) is 2-[(Z)-3-iodo-2-methylprop-2-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-3-iodo-2-methylprop-2-enoxy]oxane?
The canonical SMILES for 2-[(Z)-3-iodo-2-methylprop-2-enoxy]oxane is C/C(=C/I)COC1CCCCO1.
What is the InChIKey of 2-[(Z)-3-iodo-2-methylprop-2-enoxy]oxane?
The InChIKey is XMHQZEMLFOWHRI-VURMDHGXSA-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-[(Z)-3-iodo-2-methylprop-2-enoxy]oxane?
2-[(Z)-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-[(Z)-3-iodo-2-methylprop-2-enoxy]oxane is sourced from PubChem (CID 12809970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).