2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane

C16H26O4 — CID 14026777

IUPAC2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
SMILESC(/C=C/COC1CCCCO1)=C\COC1CCCCO1
InChIInChI=1S/C16H26O4/c1(5-11-17-15-9-3-7-13-19-15)2-6-12-18-16-10-4-8-14-20-16/h1-2,5-6,15-16H,3-4,7-14H2/b5-1+,6-2+
InChIKeyZIJXTSGXYWXCGE-IJIVKGSJSA-N
MW282.38 g/mol
LogP3.19
Rot. Bonds7

About 2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane

2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane (PubChem CID 14026777) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane.

Molecular Properties

Compound Name2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
PubChem CID14026777
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
SMILESC(/C=C/COC1CCCCO1)=C\COC1CCCCO1
InChIInChI=1S/C16H26O4/c1(5-11-17-15-9-3-7-13-19-15)2-6-12-18-16-10-4-8-14-20-16/h1-2,5-6,15-16H,3-4,7-14H2/b5-1+,6-2+
InChIKeyZIJXTSGXYWXCGE-IJIVKGSJSA-N
XLogP3.19
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
(2R)-2-[(E)-5-bromopent-2-enoxy]oxane
CID 125476035
(2R)-2-[(E)-pent-2-en-4-ynoxy]oxane
CID 95562312
2-[(E)-5-iodopent-2-enoxy]oxane
CID 12871483
2-(8-chlorooct-2-enoxy)oxane
CID 71417540
2-but-2-enoxyoxolane
CID 86088707
2-[(E)-hept-2-en-6-ynoxy]oxane
CID 14728076
2-[(E)-hept-2-enoxy]oxane
CID 12861157
2-[(E)-7,7-diiodohept-2-enoxy]oxane
CID 45278178
(E)-7-(oxan-2-yloxy)hept-5-en-2-one
CID 10632332
ethyl (Z)-4-[(2R)-oxan-2-yl]oxybut-2-enoate
CID 129386524
(E,2R,3S)-3,6-bis(oxan-2-yloxy)hex-4-en-2-ol
CID 10913620

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane?
The IUPAC name of 2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane (CID 14026777) is 2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane.
What is the SMILES notation for 2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane?
The canonical SMILES for 2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane is C(/C=C/COC1CCCCO1)=C\COC1CCCCO1.
What is the InChIKey of 2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane?
The InChIKey is ZIJXTSGXYWXCGE-IJIVKGSJSA-N. The full InChI is InChI=1S/C16H26O4/c1(5-11-17-15-9-3-7-13-19-15)2-6-12-18-16-10-4-8-14-20-16/h1-2,5-6,15-16H,3-4,7-14H2/b5-1+,6-2+.
What are the key properties of 2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane?
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane has a molecular weight of 282.38 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane is sourced from PubChem (CID 14026777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).