2-[(E)-7-iodohept-6-enoxy]oxane

C12H21IO2 — CID 141419151

IUPAC2-[(E)-7-iodohept-6-enoxy]oxane
SMILESI/C=C/CCCCCOC1CCCCO1
InChIInChI=1S/C12H21IO2/c13-9-5-2-1-3-6-10-14-12-8-4-7-11-15-12/h5,9,12H,1-4,6-8,10-11H2/b9-5+
InChIKeyLBHNSKVNDDQURC-WEVVVXLNSA-N
MW324.20 g/mol
LogP4.04
Rot. Bonds7

About 2-[(E)-7-iodohept-6-enoxy]oxane

2-[(E)-7-iodohept-6-enoxy]oxane (PubChem CID 141419151) has the molecular formula C12H21IO2 and a molecular weight of 324.20 g/mol. Its IUPAC name is 2-[(E)-7-iodohept-6-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-7-iodohept-6-enoxy]oxane
PubChem CID141419151
Molecular FormulaC12H21IO2
Molecular Weight324.20 g/mol
Exact Mass324.06
IUPAC Name2-[(E)-7-iodohept-6-enoxy]oxane
SMILESI/C=C/CCCCCOC1CCCCO1
InChIInChI=1S/C12H21IO2/c13-9-5-2-1-3-6-10-14-12-8-4-7-11-15-12/h5,9,12H,1-4,6-8,10-11H2/b9-5+
InChIKeyLBHNSKVNDDQURC-WEVVVXLNSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(E)-7-iodohept-6-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)-7-iodohept-6-enoxy]oxane?
The IUPAC name of 2-[(E)-7-iodohept-6-enoxy]oxane (CID 141419151) is 2-[(E)-7-iodohept-6-enoxy]oxane.
What is the SMILES notation for 2-[(E)-7-iodohept-6-enoxy]oxane?
The canonical SMILES for 2-[(E)-7-iodohept-6-enoxy]oxane is I/C=C/CCCCCOC1CCCCO1.
What is the InChIKey of 2-[(E)-7-iodohept-6-enoxy]oxane?
The InChIKey is LBHNSKVNDDQURC-WEVVVXLNSA-N. The full InChI is InChI=1S/C12H21IO2/c13-9-5-2-1-3-6-10-14-12-8-4-7-11-15-12/h5,9,12H,1-4,6-8,10-11H2/b9-5+.
What are the key properties of 2-[(E)-7-iodohept-6-enoxy]oxane?
2-[(E)-7-iodohept-6-enoxy]oxane has a molecular weight of 324.20 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-7-iodohept-6-enoxy]oxane is sourced from PubChem (CID 141419151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).