N-(oxan-2-yloxy)oct-5-en-3-imine

C13H23NO2 — CID 88720218

IUPACN-(oxan-2-yloxy)oct-5-en-3-imine
SMILESCCC=CCC(CC)=NOC1CCCCO1
InChIInChI=1S/C13H23NO2/c1-3-5-6-9-12(4-2)14-16-13-10-7-8-11-15-13/h5-6,13H,3-4,7-11H2,1-2H3
InChIKeyWUSHMRYNXYKVCH-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.65
Rot. Bonds6

About N-(oxan-2-yloxy)oct-5-en-3-imine

N-(oxan-2-yloxy)oct-5-en-3-imine (PubChem CID 88720218) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(oxan-2-yloxy)oct-5-en-3-imine.

Molecular Properties

Compound NameN-(oxan-2-yloxy)oct-5-en-3-imine
PubChem CID88720218
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(oxan-2-yloxy)oct-5-en-3-imine
SMILESCCC=CCC(CC)=NOC1CCCCO1
InChIInChI=1S/C13H23NO2/c1-3-5-6-9-12(4-2)14-16-13-10-7-8-11-15-13/h5-6,13H,3-4,7-11H2,1-2H3
InChIKeyWUSHMRYNXYKVCH-UHFFFAOYSA-N
XLogP3.65
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z,2S)-hex-3-en-2-yl]oxyoxane
CID 58329904
2-[(4Z,7Z)-deca-4,7-dienoxy]oxane
CID 10966579
(E)-N-(oxan-2-yloxy)cyclohexanecarboximidoyl chloride
CID 11096875
4-methyl-2-(oxan-2-yloxyimino)pentanoic acid
CID 54004954
methyl (2E)-3-ethoxy-2-(oxan-2-yloxyimino)butanoate
CID 11334435
(2R)-2-[(Z)-pent-2-enyl]oxane
CID 154446695
methane;N-(oxan-2-yloxy)methanimine
CID 159649356
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
2-but-1-enyloxane
CID 54120972
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
magnesium;2-ethoxyoxane;dichloride
CID 158421621
2-[(3Z,5E)-nona-3,5-dienoxy]oxane
CID 177457132

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-yloxy)oct-5-en-3-imine?
The IUPAC name of N-(oxan-2-yloxy)oct-5-en-3-imine (CID 88720218) is N-(oxan-2-yloxy)oct-5-en-3-imine.
What is the SMILES notation for N-(oxan-2-yloxy)oct-5-en-3-imine?
The canonical SMILES for N-(oxan-2-yloxy)oct-5-en-3-imine is CCC=CCC(CC)=NOC1CCCCO1.
What is the InChIKey of N-(oxan-2-yloxy)oct-5-en-3-imine?
The InChIKey is WUSHMRYNXYKVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-5-6-9-12(4-2)14-16-13-10-7-8-11-15-13/h5-6,13H,3-4,7-11H2,1-2H3.
What are the key properties of N-(oxan-2-yloxy)oct-5-en-3-imine?
N-(oxan-2-yloxy)oct-5-en-3-imine has a molecular weight of 225.33 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-yloxy)oct-5-en-3-imine is sourced from PubChem (CID 88720218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).