2-[(Z)-6-iodohex-3-enoxy]oxane

C11H19IO2 — CID 14359696

IUPAC2-[(Z)-6-iodohex-3-enoxy]oxane
SMILESICC/C=C\CCOC1CCCCO1
InChIInChI=1S/C11H19IO2/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h1-2,11H,3-10H2/b2-1-
InChIKeyPZUHNEARDWONME-UPHRSURJSA-N
MW310.18 g/mol
LogP3.30
Rot. Bonds6

About 2-[(Z)-6-iodohex-3-enoxy]oxane

2-[(Z)-6-iodohex-3-enoxy]oxane (PubChem CID 14359696) has the molecular formula C11H19IO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-[(Z)-6-iodohex-3-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-6-iodohex-3-enoxy]oxane
PubChem CID14359696
Molecular FormulaC11H19IO2
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Name2-[(Z)-6-iodohex-3-enoxy]oxane
SMILESICC/C=C\CCOC1CCCCO1
InChIInChI=1S/C11H19IO2/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h1-2,11H,3-10H2/b2-1-
InChIKeyPZUHNEARDWONME-UPHRSURJSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-6-iodohex-3-enoxy]oxane?
The IUPAC name of 2-[(Z)-6-iodohex-3-enoxy]oxane (CID 14359696) is 2-[(Z)-6-iodohex-3-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-6-iodohex-3-enoxy]oxane?
The canonical SMILES for 2-[(Z)-6-iodohex-3-enoxy]oxane is ICC/C=C\CCOC1CCCCO1.
What is the InChIKey of 2-[(Z)-6-iodohex-3-enoxy]oxane?
The InChIKey is PZUHNEARDWONME-UPHRSURJSA-N. The full InChI is InChI=1S/C11H19IO2/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h1-2,11H,3-10H2/b2-1-.
What are the key properties of 2-[(Z)-6-iodohex-3-enoxy]oxane?
2-[(Z)-6-iodohex-3-enoxy]oxane has a molecular weight of 310.18 g/mol, XLogP of 3.30, 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-3-enoxy]oxane is sourced from PubChem (CID 14359696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).