2-[(E)-11-iodoundec-10-enoxy]oxane

C16H29IO2 — CID 11280429

IUPAC2-[(E)-11-iodoundec-10-enoxy]oxane
SMILESI/C=C/CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C16H29IO2/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h9,13,16H,1-8,10-12,14-15H2/b13-9+
InChIKeyMBHKZVVBMCRSHB-UKTHLTGXSA-N
MW380.31 g/mol
LogP5.60
Rot. Bonds11

About 2-[(E)-11-iodoundec-10-enoxy]oxane

2-[(E)-11-iodoundec-10-enoxy]oxane (PubChem CID 11280429) has the molecular formula C16H29IO2 and a molecular weight of 380.31 g/mol. Its IUPAC name is 2-[(E)-11-iodoundec-10-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-11-iodoundec-10-enoxy]oxane
PubChem CID11280429
Molecular FormulaC16H29IO2
Molecular Weight380.31 g/mol
Exact Mass380.12
IUPAC Name2-[(E)-11-iodoundec-10-enoxy]oxane
SMILESI/C=C/CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C16H29IO2/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h9,13,16H,1-8,10-12,14-15H2/b13-9+
InChIKeyMBHKZVVBMCRSHB-UKTHLTGXSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.31
LogP ≤ 55.60
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-[(Z)-4-iodobut-3-enoxy]oxane
CID 10423866
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid
CID 71244577
2-[(9E)-dodeca-9,11-dienoxy]oxane
CID 10934423
(2R)-2-[(8E,10E)-dodeca-8,10-dienoxy]oxane
CID 6450274
7-(oxan-2-yloxy)hept-2-enal
CID 54196488
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
methyl (E)-8-(oxan-2-yloxy)oct-2-enoate
CID 14937208

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-11-iodoundec-10-enoxy]oxane?
The IUPAC name of 2-[(E)-11-iodoundec-10-enoxy]oxane (CID 11280429) is 2-[(E)-11-iodoundec-10-enoxy]oxane.
What is the SMILES notation for 2-[(E)-11-iodoundec-10-enoxy]oxane?
The canonical SMILES for 2-[(E)-11-iodoundec-10-enoxy]oxane is I/C=C/CCCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-[(E)-11-iodoundec-10-enoxy]oxane?
The InChIKey is MBHKZVVBMCRSHB-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H29IO2/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h9,13,16H,1-8,10-12,14-15H2/b13-9+.
What are the key properties of 2-[(E)-11-iodoundec-10-enoxy]oxane?
2-[(E)-11-iodoundec-10-enoxy]oxane has a molecular weight of 380.31 g/mol, XLogP of 5.60, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-11-iodoundec-10-enoxy]oxane is sourced from PubChem (CID 11280429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).