2-[(E)-non-4-enoxy]oxane

C14H26O2 — CID 15674282

IUPAC2-[(E)-non-4-enoxy]oxane
SMILESCCCC/C=C/CCCOC1CCCCO1
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-9-12-15-14-11-8-10-13-16-14/h5-6,14H,2-4,7-13H2,1H3/b6-5+
InChIKeyXTBHMSBSEAKTIK-AATRIKPKSA-N
MW226.36 g/mol
LogP4.06
Rot. Bonds8

About 2-[(E)-non-4-enoxy]oxane

2-[(E)-non-4-enoxy]oxane (PubChem CID 15674282) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[(E)-non-4-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-non-4-enoxy]oxane
PubChem CID15674282
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-[(E)-non-4-enoxy]oxane
SMILESCCCC/C=C/CCCOC1CCCCO1
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-9-12-15-14-11-8-10-13-16-14/h5-6,14H,2-4,7-13H2,1H3/b6-5+
InChIKeyXTBHMSBSEAKTIK-AATRIKPKSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-non-4-enoxy]oxane?
The IUPAC name of 2-[(E)-non-4-enoxy]oxane (CID 15674282) is 2-[(E)-non-4-enoxy]oxane.
What is the SMILES notation for 2-[(E)-non-4-enoxy]oxane?
The canonical SMILES for 2-[(E)-non-4-enoxy]oxane is CCCC/C=C/CCCOC1CCCCO1.
What is the InChIKey of 2-[(E)-non-4-enoxy]oxane?
The InChIKey is XTBHMSBSEAKTIK-AATRIKPKSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-3-4-5-6-7-9-12-15-14-11-8-10-13-16-14/h5-6,14H,2-4,7-13H2,1H3/b6-5+.
What are the key properties of 2-[(E)-non-4-enoxy]oxane?
2-[(E)-non-4-enoxy]oxane has a molecular weight of 226.36 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-non-4-enoxy]oxane is sourced from PubChem (CID 15674282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).