2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane

C15H27IO2 — CID 88618382

IUPAC2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane
SMILESCCCC(C)(C)CC/C=C(/I)OC1CCCCO1
InChIInChI=1S/C15H27IO2/c1-4-10-15(2,3)11-7-8-13(16)18-14-9-5-6-12-17-14/h8,14H,4-7,9-12H2,1-3H3/b13-8-
InChIKeyKVKYJDOPDQUZKA-JYRVWZFOSA-N
MW366.28 g/mol
LogP5.41
Rot. Bonds7

About 2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane

2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane (PubChem CID 88618382) has the molecular formula C15H27IO2 and a molecular weight of 366.28 g/mol. Its IUPAC name is 2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane
PubChem CID88618382
Molecular FormulaC15H27IO2
Molecular Weight366.28 g/mol
Exact Mass366.11
IUPAC Name2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane
SMILESCCCC(C)(C)CC/C=C(/I)OC1CCCCO1
InChIInChI=1S/C15H27IO2/c1-4-10-15(2,3)11-7-8-13(16)18-14-9-5-6-12-17-14/h8,14H,4-7,9-12H2,1-3H3/b13-8-
InChIKeyKVKYJDOPDQUZKA-JYRVWZFOSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.28
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-iodonon-2-en-2-yloxy)oxane
CID 57013558
2-[(E)-1-iodo-3-(2-methylspiro[3.3]heptan-2-yl)prop-1-enoxy]oxane
CID 88809531
oxan-2-yl butanoate
CID 14932559
3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-3-ol
CID 67848539
oxan-2-yl 2-bromo-2-methylpropanoate
CID 12570457
oxan-2-yl 2-tert-butylpentanoate
CID 123458101
oxolan-2-yl 2-methyl-2-(methylamino)pentanoate
CID 170233945
3-(oxan-2-yloxy)tetradec-2-enal
CID 173358094
oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
2-(2,2-dimethylhexoxy)oxane;ethane
CID 142212056
magnesium;2-ethoxyoxane;dichloride
CID 158421621
oxan-2-yl octanoate
CID 23405562

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane?
The IUPAC name of 2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane (CID 88618382) is 2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane.
What is the SMILES notation for 2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane?
The canonical SMILES for 2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane is CCCC(C)(C)CC/C=C(/I)OC1CCCCO1.
What is the InChIKey of 2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane?
The InChIKey is KVKYJDOPDQUZKA-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H27IO2/c1-4-10-15(2,3)11-7-8-13(16)18-14-9-5-6-12-17-14/h8,14H,4-7,9-12H2,1-3H3/b13-8-.
What are the key properties of 2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane?
2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane has a molecular weight of 366.28 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane is sourced from PubChem (CID 88618382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).