2-(1-iodonon-2-en-2-yloxy)oxane

C14H25IO2 — CID 57013558

IUPAC2-(1-iodonon-2-en-2-yloxy)oxane
SMILESCCCCCCC=C(CI)OC1CCCCO1
InChIInChI=1S/C14H25IO2/c1-2-3-4-5-6-9-13(12-15)17-14-10-7-8-11-16-14/h9,14H,2-8,10-12H2,1H3
InChIKeySKIIDXSVJFCBLH-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.82
Rot. Bonds8

About 2-(1-iodonon-2-en-2-yloxy)oxane

2-(1-iodonon-2-en-2-yloxy)oxane (PubChem CID 57013558) has the molecular formula C14H25IO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2-(1-iodonon-2-en-2-yloxy)oxane.

Molecular Properties

Compound Name2-(1-iodonon-2-en-2-yloxy)oxane
PubChem CID57013558
Molecular FormulaC14H25IO2
Molecular Weight352.26 g/mol
Exact Mass352.09
IUPAC Name2-(1-iodonon-2-en-2-yloxy)oxane
SMILESCCCCCCC=C(CI)OC1CCCCO1
InChIInChI=1S/C14H25IO2/c1-2-3-4-5-6-9-13(12-15)17-14-10-7-8-11-16-14/h9,14H,2-8,10-12H2,1H3
InChIKeySKIIDXSVJFCBLH-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(oxan-2-yloxy)tetradec-2-enal
CID 173358094
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
oxan-2-yl octanoate
CID 23405562
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
(Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
CID 86737423
2-[(E)-dec-3-enoxy]oxane
CID 15649194
2-octacosoxyoxane
CID 11214102
2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane
CID 88618382
2-[(1S,2S,3S)-3-(oxan-2-yloxy)-2-[1-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]acetaldehyde
CID 56976996
hexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
CID 70568383
(Z)-2-[(E)-5-cyclopentylpent-3-enyl]-3-(oxan-2-yloxy)dec-3-enoic acid
CID 22801306
2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane
CID 70507744

Frequently Asked Questions

What is the IUPAC name of 2-(1-iodonon-2-en-2-yloxy)oxane?
The IUPAC name of 2-(1-iodonon-2-en-2-yloxy)oxane (CID 57013558) is 2-(1-iodonon-2-en-2-yloxy)oxane.
What is the SMILES notation for 2-(1-iodonon-2-en-2-yloxy)oxane?
The canonical SMILES for 2-(1-iodonon-2-en-2-yloxy)oxane is CCCCCCC=C(CI)OC1CCCCO1.
What is the InChIKey of 2-(1-iodonon-2-en-2-yloxy)oxane?
The InChIKey is SKIIDXSVJFCBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25IO2/c1-2-3-4-5-6-9-13(12-15)17-14-10-7-8-11-16-14/h9,14H,2-8,10-12H2,1H3.
What are the key properties of 2-(1-iodonon-2-en-2-yloxy)oxane?
2-(1-iodonon-2-en-2-yloxy)oxane has a molecular weight of 352.26 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodonon-2-en-2-yloxy)oxane is sourced from PubChem (CID 57013558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).