2-[(2E)-penta-2,4-dienoxy]oxane

C10H16O2 — CID 24977138

IUPAC2-[(2E)-penta-2,4-dienoxy]oxane
SMILESC=C/C=C/COC1CCCCO1
InChIInChI=1S/C10H16O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h2-3,5,10H,1,4,6-9H2/b5-3+
InChIKeyXUVGNNBXORLBHE-HWKANZROSA-N
MW168.24 g/mol
LogP2.27
Rot. Bonds4

About 2-[(2E)-penta-2,4-dienoxy]oxane

2-[(2E)-penta-2,4-dienoxy]oxane (PubChem CID 24977138) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(2E)-penta-2,4-dienoxy]oxane.

Molecular Properties

Compound Name2-[(2E)-penta-2,4-dienoxy]oxane
PubChem CID24977138
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[(2E)-penta-2,4-dienoxy]oxane
SMILESC=C/C=C/COC1CCCCO1
InChIInChI=1S/C10H16O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h2-3,5,10H,1,4,6-9H2/b5-3+
InChIKeyXUVGNNBXORLBHE-HWKANZROSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 4532059
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(2S)-2-prop-2-enoxyoxane
CID 7033617
2-[(E)-but-2-enoxy]oxane
CID 11788432
2-[(E)-2-methylbut-2-enoxy]tetrahydropyran
CID 12623536
(E)-4-(oxan-2-yloxy)but-2-en-1-ol
CID 12927815
4-(2-Tetrahydro-2H-pyranoxy)phenylmagnesium bromide
CID 14519569
2-Tetrahydropyranyloxypyran
CID 129812460
2-[(Z)-3-fluorobut-2-enoxy]oxane
CID 90381677
2-[(E)-3-fluorobut-2-enoxy]oxane
CID 90381688
2-[(E)-4,4,4-trifluorobut-2-enoxy]oxane
CID 169226620

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-penta-2,4-dienoxy]oxane?
The IUPAC name of 2-[(2E)-penta-2,4-dienoxy]oxane (CID 24977138) is 2-[(2E)-penta-2,4-dienoxy]oxane.
What is the SMILES notation for 2-[(2E)-penta-2,4-dienoxy]oxane?
The canonical SMILES for 2-[(2E)-penta-2,4-dienoxy]oxane is C=C/C=C/COC1CCCCO1.
What is the InChIKey of 2-[(2E)-penta-2,4-dienoxy]oxane?
The InChIKey is XUVGNNBXORLBHE-HWKANZROSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h2-3,5,10H,1,4,6-9H2/b5-3+.
What are the key properties of 2-[(2E)-penta-2,4-dienoxy]oxane?
2-[(2E)-penta-2,4-dienoxy]oxane has a molecular weight of 168.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-penta-2,4-dienoxy]oxane is sourced from PubChem (CID 24977138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).