2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane

C14H24O4 — CID 14103519

IUPAC2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane
SMILESC(=C\COC1CCCCO1)\COC1CCCCO1
InChIInChI=1S/C14H24O4/c1-3-9-15-13(7-1)17-11-5-6-12-18-14-8-2-4-10-16-14/h5-6,13-14H,1-4,7-12H2/b6-5-
InChIKeyGQFJVSJSWXVZFR-WAYWQWQTSA-N
MW256.34 g/mol
LogP2.63
Rot. Bonds6

About 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane

2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane (PubChem CID 14103519) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane
PubChem CID14103519
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane
SMILESC(=C\COC1CCCCO1)\COC1CCCCO1
InChIInChI=1S/C14H24O4/c1-3-9-15-13(7-1)17-11-5-6-12-18-14-8-2-4-10-16-14/h5-6,13-14H,1-4,7-12H2/b6-5-
InChIKeyGQFJVSJSWXVZFR-WAYWQWQTSA-N
XLogP2.63
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane?
The IUPAC name of 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane (CID 14103519) is 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane?
The canonical SMILES for 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane is C(=C\COC1CCCCO1)\COC1CCCCO1.
What is the InChIKey of 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane?
The InChIKey is GQFJVSJSWXVZFR-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H24O4/c1-3-9-15-13(7-1)17-11-5-6-12-18-14-8-2-4-10-16-14/h5-6,13-14H,1-4,7-12H2/b6-5-.
What are the key properties of 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane?
2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane has a molecular weight of 256.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-(oxan-2-yloxy)but-2-enoxy]oxane is sourced from PubChem (CID 14103519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).