2-[(E)-but-2-enoxy]oxane

C9H16O2 — CID 11788432

IUPAC2-[(E)-but-2-enoxy]oxane
SMILESC/C=C/COC1CCCCO1
InChIInChI=1S/C9H16O2/c1-2-3-7-10-9-6-4-5-8-11-9/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyXFIXJCMLKWOGSY-NSCUHMNNSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds3

About 2-[(E)-but-2-enoxy]oxane

2-[(E)-but-2-enoxy]oxane (PubChem CID 11788432) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-[(E)-but-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(E)-but-2-enoxy]oxane
PubChem CID11788432
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-[(E)-but-2-enoxy]oxane
SMILESC/C=C/COC1CCCCO1
InChIInChI=1S/C9H16O2/c1-2-3-7-10-9-6-4-5-8-11-9/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyXFIXJCMLKWOGSY-NSCUHMNNSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enoxy]oxane?
The IUPAC name of 2-[(E)-but-2-enoxy]oxane (CID 11788432) is 2-[(E)-but-2-enoxy]oxane.
What is the SMILES notation for 2-[(E)-but-2-enoxy]oxane?
The canonical SMILES for 2-[(E)-but-2-enoxy]oxane is C/C=C/COC1CCCCO1.
What is the InChIKey of 2-[(E)-but-2-enoxy]oxane?
The InChIKey is XFIXJCMLKWOGSY-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-3-7-10-9-6-4-5-8-11-9/h2-3,9H,4-8H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enoxy]oxane?
2-[(E)-but-2-enoxy]oxane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enoxy]oxane is sourced from PubChem (CID 11788432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).