2-[(Z)-6-iodohex-5-enoxy]oxane

C11H19IO2 — CID 12819517

IUPAC2-[(Z)-6-iodohex-5-enoxy]oxane
SMILESI/C=C\CCCCOC1CCCCO1
InChIInChI=1S/C11H19IO2/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h4,8,11H,1-3,5-7,9-10H2/b8-4-
InChIKeyVJVQBNBMUAZNMI-YWEYNIOJSA-N
MW310.18 g/mol
LogP3.65
Rot. Bonds6

About 2-[(Z)-6-iodohex-5-enoxy]oxane

2-[(Z)-6-iodohex-5-enoxy]oxane (PubChem CID 12819517) has the molecular formula C11H19IO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-[(Z)-6-iodohex-5-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-6-iodohex-5-enoxy]oxane
PubChem CID12819517
Molecular FormulaC11H19IO2
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Name2-[(Z)-6-iodohex-5-enoxy]oxane
SMILESI/C=C\CCCCOC1CCCCO1
InChIInChI=1S/C11H19IO2/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h4,8,11H,1-3,5-7,9-10H2/b8-4-
InChIKeyVJVQBNBMUAZNMI-YWEYNIOJSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.65
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-6-iodohex-5-enoxy]oxane?
The IUPAC name of 2-[(Z)-6-iodohex-5-enoxy]oxane (CID 12819517) is 2-[(Z)-6-iodohex-5-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-6-iodohex-5-enoxy]oxane?
The canonical SMILES for 2-[(Z)-6-iodohex-5-enoxy]oxane is I/C=C\CCCCOC1CCCCO1.
What is the InChIKey of 2-[(Z)-6-iodohex-5-enoxy]oxane?
The InChIKey is VJVQBNBMUAZNMI-YWEYNIOJSA-N. The full InChI is InChI=1S/C11H19IO2/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h4,8,11H,1-3,5-7,9-10H2/b8-4-.
What are the key properties of 2-[(Z)-6-iodohex-5-enoxy]oxane?
2-[(Z)-6-iodohex-5-enoxy]oxane has a molecular weight of 310.18 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-6-iodohex-5-enoxy]oxane is sourced from PubChem (CID 12819517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).