2-(9-iodonon-8-ynoxy)oxane

C14H23IO2 — CID 558907

IUPAC2-(9-iodonon-8-ynoxy)oxane
SMILESIC#CCCCCCCCOC1CCCCO1
InChIInChI=1S/C14H23IO2/c15-11-7-4-2-1-3-5-8-12-16-14-10-6-9-13-17-14/h14H,1-6,8-10,12-13H2
InChIKeyMUQFSDBOENUEKV-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.27
Rot. Bonds8

About 2-(9-iodonon-8-ynoxy)oxane

2-(9-iodonon-8-ynoxy)oxane (PubChem CID 558907) has the molecular formula C14H23IO2 and a molecular weight of 350.24 g/mol. Its IUPAC name is 2-(9-iodonon-8-ynoxy)oxane.

Molecular Properties

Compound Name2-(9-iodonon-8-ynoxy)oxane
PubChem CID558907
Molecular FormulaC14H23IO2
Molecular Weight350.24 g/mol
Exact Mass350.07
IUPAC Name2-(9-iodonon-8-ynoxy)oxane
SMILESIC#CCCCCCCCOC1CCCCO1
InChIInChI=1S/C14H23IO2/c15-11-7-4-2-1-3-5-8-12-16-14-10-6-9-13-17-14/h14H,1-6,8-10,12-13H2
InChIKeyMUQFSDBOENUEKV-UHFFFAOYSA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.27
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
8-(oxan-2-yloxy)oct-2-yn-1-ol
CID 20521626
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
2-heptadec-13-ynoxyoxane
CID 11099777
2-hexadeca-6,12-diynoxyoxane
CID 163386043
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-(13,13,14,14-tetradeuteriohexadec-8-ynoxy)oxane
CID 71479982
2-(18-iodooctadecoxy)oxane
CID 86124950
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-(12-bromododecoxy)oxane
CID 11078592
2-octacosoxyoxane
CID 11214102
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710

Frequently Asked Questions

What is the IUPAC name of 2-(9-iodonon-8-ynoxy)oxane?
The IUPAC name of 2-(9-iodonon-8-ynoxy)oxane (CID 558907) is 2-(9-iodonon-8-ynoxy)oxane.
What is the SMILES notation for 2-(9-iodonon-8-ynoxy)oxane?
The canonical SMILES for 2-(9-iodonon-8-ynoxy)oxane is IC#CCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-(9-iodonon-8-ynoxy)oxane?
The InChIKey is MUQFSDBOENUEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IO2/c15-11-7-4-2-1-3-5-8-12-16-14-10-6-9-13-17-14/h14H,1-6,8-10,12-13H2.
What are the key properties of 2-(9-iodonon-8-ynoxy)oxane?
2-(9-iodonon-8-ynoxy)oxane has a molecular weight of 350.24 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-iodonon-8-ynoxy)oxane is sourced from PubChem (CID 558907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).