2-[(Z)-4-iodobut-3-enoxy]oxane

C9H15IO2 — CID 10423866

IUPAC2-[(Z)-4-iodobut-3-enoxy]oxane
SMILESI/C=C\CCOC1CCCCO1
InChIInChI=1S/C9H15IO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h2,6,9H,1,3-5,7-8H2/b6-2-
InChIKeyVGELMEXJQDKWFI-KXFIGUGUSA-N
MW282.12 g/mol
LogP2.87
Rot. Bonds4

About 2-[(Z)-4-iodobut-3-enoxy]oxane

2-[(Z)-4-iodobut-3-enoxy]oxane (PubChem CID 10423866) has the molecular formula C9H15IO2 and a molecular weight of 282.12 g/mol. Its IUPAC name is 2-[(Z)-4-iodobut-3-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-4-iodobut-3-enoxy]oxane
PubChem CID10423866
Molecular FormulaC9H15IO2
Molecular Weight282.12 g/mol
Exact Mass282.01
IUPAC Name2-[(Z)-4-iodobut-3-enoxy]oxane
SMILESI/C=C\CCOC1CCCCO1
InChIInChI=1S/C9H15IO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h2,6,9H,1,3-5,7-8H2/b6-2-
InChIKeyVGELMEXJQDKWFI-KXFIGUGUSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-5-iodopent-4-enoxy]oxane
CID 11140994
2-[(E)-11-iodoundec-10-enoxy]oxane
CID 11280429
2-[(3Z,5E)-nona-3,5-dienoxy]oxane
CID 177457132
2-[(E)-dec-3-enoxy]oxane
CID 15649194
ethyl (E)-5-(oxan-2-yloxy)pent-2-enoate
CID 15839787
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
(6Z,9E)-12-(oxan-2-yloxy)dodeca-6,9-dien-1-ol
CID 70506066
(E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid
CID 139578710
(2S)-2-pent-4-enoxyoxane
CID 58779863
8-(oxan-2-yloxy)oct-5-en-4-ol
CID 71414268
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-iodobut-3-enoxy]oxane?
The IUPAC name of 2-[(Z)-4-iodobut-3-enoxy]oxane (CID 10423866) is 2-[(Z)-4-iodobut-3-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-4-iodobut-3-enoxy]oxane?
The canonical SMILES for 2-[(Z)-4-iodobut-3-enoxy]oxane is I/C=C\CCOC1CCCCO1.
What is the InChIKey of 2-[(Z)-4-iodobut-3-enoxy]oxane?
The InChIKey is VGELMEXJQDKWFI-KXFIGUGUSA-N. The full InChI is InChI=1S/C9H15IO2/c10-6-2-4-8-12-9-5-1-3-7-11-9/h2,6,9H,1,3-5,7-8H2/b6-2-.
What are the key properties of 2-[(Z)-4-iodobut-3-enoxy]oxane?
2-[(Z)-4-iodobut-3-enoxy]oxane has a molecular weight of 282.12 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-iodobut-3-enoxy]oxane is sourced from PubChem (CID 10423866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).