2-[(E)-5-iodo-2-methylpent-2-enoxy]oxane

C11H19IO2 — CID 89328534

IUPAC2-[(E)-5-iodo-2-methylpent-2-enoxy]oxane
SMILESC/C(=C\CCI)COC1CCCCO1
InChIInChI=1S/C11H19IO2/c1-10(5-4-7-12)9-14-11-6-2-3-8-13-11/h5,11H,2-4,6-9H2,1H3/b10-5+
InChIKeyNZPIJOKHZHMVAV-BJMVGYQFSA-N
MW310.18 g/mol
LogP3.30
Rot. Bonds5

About 2-[(E)-5-iodo-2-methylpent-2-enoxy]oxane

2-[(E)-5-iodo-2-methylpent-2-enoxy]oxane (PubChem CID 89328534) has the molecular formula C11H19IO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-[(E)-5-iodo-2-methylpent-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-5-iodo-2-methylpent-2-enoxy]oxane
PubChem CID89328534
Molecular FormulaC11H19IO2
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Name2-[(E)-5-iodo-2-methylpent-2-enoxy]oxane
SMILESC/C(=C\CCI)COC1CCCCO1
InChIInChI=1S/C11H19IO2/c1-10(5-4-7-12)9-14-11-6-2-3-8-13-11/h5,11H,2-4,6-9H2,1H3/b10-5+
InChIKeyNZPIJOKHZHMVAV-BJMVGYQFSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.30
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'}

Analyze 2-[(E)-5-iodo-2-methylpent-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-[(E)-5-iodo-2-methylpent-2-enoxy]oxane?
The IUPAC name of 2-[(E)-5-iodo-2-methylpent-2-enoxy]oxane (CID 89328534) is 2-[(E)-5-iodo-2-methylpent-2-enoxy]oxane.
What is the SMILES notation for 2-[(E)-5-iodo-2-methylpent-2-enoxy]oxane?
The canonical SMILES for 2-[(E)-5-iodo-2-methylpent-2-enoxy]oxane is C/C(=C\CCI)COC1CCCCO1.
What is the InChIKey of 2-[(E)-5-iodo-2-methylpent-2-enoxy]oxane?
The InChIKey is NZPIJOKHZHMVAV-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H19IO2/c1-10(5-4-7-12)9-14-11-6-2-3-8-13-11/h5,11H,2-4,6-9H2,1H3/b10-5+.
What are the key properties of 2-[(E)-5-iodo-2-methylpent-2-enoxy]oxane?
2-[(E)-5-iodo-2-methylpent-2-enoxy]oxane has a molecular weight of 310.18 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-iodo-2-methylpent-2-enoxy]oxane is sourced from PubChem (CID 89328534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).