2-[(E)-10-iododec-9-enoxy]oxane

C15H27IO2 — CID 10642636

IUPAC2-[(E)-10-iododec-9-enoxy]oxane
SMILESI/C=C/CCCCCCCCOC1CCCCO1
InChIInChI=1S/C15H27IO2/c16-12-8-5-3-1-2-4-6-9-13-17-15-11-7-10-14-18-15/h8,12,15H,1-7,9-11,13-14H2/b12-8+
InChIKeyAAIHDAVYWGUMRC-XYOKQWHBSA-N
MW366.28 g/mol
LogP5.21
Rot. Bonds10

About 2-[(E)-10-iododec-9-enoxy]oxane

2-[(E)-10-iododec-9-enoxy]oxane (PubChem CID 10642636) has the molecular formula C15H27IO2 and a molecular weight of 366.28 g/mol. Its IUPAC name is 2-[(E)-10-iododec-9-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-10-iododec-9-enoxy]oxane
PubChem CID10642636
Molecular FormulaC15H27IO2
Molecular Weight366.28 g/mol
Exact Mass366.11
IUPAC Name2-[(E)-10-iododec-9-enoxy]oxane
SMILESI/C=C/CCCCCCCCOC1CCCCO1
InChIInChI=1S/C15H27IO2/c16-12-8-5-3-1-2-4-6-9-13-17-15-11-7-10-14-18-15/h8,12,15H,1-7,9-11,13-14H2/b12-8+
InChIKeyAAIHDAVYWGUMRC-XYOKQWHBSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.28
LogP ≤ 55.21
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

1-(2-Tetrahydropyranyloxy)-7-octene
CID 20041421
2-[(E)-6-iodohex-5-enoxy]oxane
CID 10924930
2-[(E,3S)-1-iodooct-1-en-3-yl]oxyoxane
CID 14077178
Tetrahydro-2-(non-8-enyloxy)-2h-pyran
CID 85176970
2-[(E)-7-iodohept-6-enoxy]oxane
CID 141419151
(2S,3R)-3-iodo-2-oct-1-en-3-yloxyoxane
CID 11110519
(e)-5-Iodo-4-penten-1-yl tetrahydropyranyl ether
CID 11140994
2-[(Z)-6-iodohex-5-enoxy]oxane
CID 12819517
2-Undec-10-enyl-1,3-dioxane
CID 13540160
2-[(Z)-11-iodoundec-10-enyl]-1,3-dioxane
CID 21725264
2-(7,8-Nonadien-1-yloxy)tetrahydropyran
CID 72544316
2-(Docos-21-en-1-yloxy)tetrahydro-2h-pyrane
CID 85701882

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-10-iododec-9-enoxy]oxane?
The IUPAC name of 2-[(E)-10-iododec-9-enoxy]oxane (CID 10642636) is 2-[(E)-10-iododec-9-enoxy]oxane.
What is the SMILES notation for 2-[(E)-10-iododec-9-enoxy]oxane?
The canonical SMILES for 2-[(E)-10-iododec-9-enoxy]oxane is I/C=C/CCCCCCCCOC1CCCCO1.
What is the InChIKey of 2-[(E)-10-iododec-9-enoxy]oxane?
The InChIKey is AAIHDAVYWGUMRC-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H27IO2/c16-12-8-5-3-1-2-4-6-9-13-17-15-11-7-10-14-18-15/h8,12,15H,1-7,9-11,13-14H2/b12-8+.
What are the key properties of 2-[(E)-10-iododec-9-enoxy]oxane?
2-[(E)-10-iododec-9-enoxy]oxane has a molecular weight of 366.28 g/mol, XLogP of 5.21, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-10-iododec-9-enoxy]oxane is sourced from PubChem (CID 10642636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).