2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane

C15H25N3O2 — CID 134984060

IUPAC2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane
SMILESC=C(C)C(CC/C(C)=C/COC1CCCCO1)N=[N+]=[N-]
InChIInChI=1S/C15H25N3O2/c1-12(2)14(17-18-16)8-7-13(3)9-11-20-15-6-4-5-10-19-15/h9,14-15H,1,4-8,10-11H2,2-3H3/b13-9+
InChIKeyJFEMISNOCYWPHO-UKTHLTGXSA-N
MW279.38 g/mol
LogP4.51
Rot. Bonds8

About 2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane

2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane (PubChem CID 134984060) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane.

Molecular Properties

Compound Name2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane
PubChem CID134984060
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane
SMILESC=C(C)C(CC/C(C)=C/COC1CCCCO1)N=[N+]=[N-]
InChIInChI=1S/C15H25N3O2/c1-12(2)14(17-18-16)8-7-13(3)9-11-20-15-6-4-5-10-19-15/h9,14-15H,1,4-8,10-11H2,2-3H3/b13-9+
InChIKeyJFEMISNOCYWPHO-UKTHLTGXSA-N
XLogP4.51
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane with MolForge

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Related Compounds

(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 59748857
2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol
CID 70162877
7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-yn-4-ol
CID 54406454
(2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane
CID 93475878
2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane
CID 56851675
[(2E,6Z)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] acetate
CID 10469860
2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane
CID 25227676
2,7,11-trimethyl-13-(oxan-2-yloxy)trideca-2,7,11-trien-4-one
CID 54387343
tert-butyl-[(6E,10E)-1-diethoxyphosphoryl-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-yl]oxy-dimethylsilane
CID 15726389
tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane
CID 10928713
[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane
CID 138963665
3-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 71330033

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane?
The IUPAC name of 2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane (CID 134984060) is 2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane.
What is the SMILES notation for 2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane?
The canonical SMILES for 2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane is C=C(C)C(CC/C(C)=C/COC1CCCCO1)N=[N+]=[N-].
What is the InChIKey of 2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane?
The InChIKey is JFEMISNOCYWPHO-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)14(17-18-16)8-7-13(3)9-11-20-15-6-4-5-10-19-15/h9,14-15H,1,4-8,10-11H2,2-3H3/b13-9+.
What are the key properties of 2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane?
2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane has a molecular weight of 279.38 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane is sourced from PubChem (CID 134984060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).