4-[(E)-2-phenylethenyl]oxane

C13H16O — CID 12063182

IUPAC4-[(E)-2-phenylethenyl]oxane
SMILESC(=C/C1CCOCC1)\c1ccccc1
InChIInChI=1S/C13H16O/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-7,13H,8-11H2/b7-6+
InChIKeyJITPIUIMBOTQBY-VOTSOKGWSA-N
MW188.27 g/mol
LogP3.13
Rot. Bonds2

About 4-[(E)-2-phenylethenyl]oxane

4-[(E)-2-phenylethenyl]oxane (PubChem CID 12063182) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]oxane.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]oxane
PubChem CID12063182
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name4-[(E)-2-phenylethenyl]oxane
SMILESC(=C/C1CCOCC1)\c1ccccc1
InChIInChI=1S/C13H16O/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-7,13H,8-11H2/b7-6+
InChIKeyJITPIUIMBOTQBY-VOTSOKGWSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]oxane?
The IUPAC name of 4-[(E)-2-phenylethenyl]oxane (CID 12063182) is 4-[(E)-2-phenylethenyl]oxane.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]oxane?
The canonical SMILES for 4-[(E)-2-phenylethenyl]oxane is C(=C/C1CCOCC1)\c1ccccc1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]oxane?
The InChIKey is JITPIUIMBOTQBY-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H16O/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-7,13H,8-11H2/b7-6+.
What are the key properties of 4-[(E)-2-phenylethenyl]oxane?
4-[(E)-2-phenylethenyl]oxane has a molecular weight of 188.27 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]oxane is sourced from PubChem (CID 12063182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).