2-[(E)-5-iodopent-4-enoxy]oxane

C10H17IO2 — CID 11140994

IUPAC2-[(E)-5-iodopent-4-enoxy]oxane
SMILESI/C=C/CCCOC1CCCCO1
InChIInChI=1S/C10H17IO2/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h3,7,10H,1-2,4-6,8-9H2/b7-3+
InChIKeyYAERKECNVYBXKN-XVNBXDOJSA-N
MW296.15 g/mol
LogP3.26
Rot. Bonds5

About 2-[(E)-5-iodopent-4-enoxy]oxane

2-[(E)-5-iodopent-4-enoxy]oxane (PubChem CID 11140994) has the molecular formula C10H17IO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is 2-[(E)-5-iodopent-4-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-5-iodopent-4-enoxy]oxane
PubChem CID11140994
Molecular FormulaC10H17IO2
Molecular Weight296.15 g/mol
Exact Mass296.03
IUPAC Name2-[(E)-5-iodopent-4-enoxy]oxane
SMILESI/C=C/CCCOC1CCCCO1
InChIInChI=1S/C10H17IO2/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h3,7,10H,1-2,4-6,8-9H2/b7-3+
InChIKeyYAERKECNVYBXKN-XVNBXDOJSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 53.26
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)-11-iodoundec-10-enoxy]oxane
CID 11280429
2-[(Z)-4-iodobut-3-enoxy]oxane
CID 10423866
(2S)-2-pent-4-enoxyoxane
CID 58779863
2-[(4Z,7Z)-deca-4,7-dienoxy]oxane
CID 10966579
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
7-(oxan-2-yloxy)hept-2-enal
CID 54196488
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid
CID 71244577
(2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane
CID 6450274
2-[(9E)-dodeca-9,11-dienoxy]oxane
CID 10934423

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-iodopent-4-enoxy]oxane?
The IUPAC name of 2-[(E)-5-iodopent-4-enoxy]oxane (CID 11140994) is 2-[(E)-5-iodopent-4-enoxy]oxane.
What is the SMILES notation for 2-[(E)-5-iodopent-4-enoxy]oxane?
The canonical SMILES for 2-[(E)-5-iodopent-4-enoxy]oxane is I/C=C/CCCOC1CCCCO1.
What is the InChIKey of 2-[(E)-5-iodopent-4-enoxy]oxane?
The InChIKey is YAERKECNVYBXKN-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H17IO2/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h3,7,10H,1-2,4-6,8-9H2/b7-3+.
What are the key properties of 2-[(E)-5-iodopent-4-enoxy]oxane?
2-[(E)-5-iodopent-4-enoxy]oxane has a molecular weight of 296.15 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-iodopent-4-enoxy]oxane is sourced from PubChem (CID 11140994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).