2-[(E)-2-cyclohexylethenyl]oxane

C13H22O — CID 102306729

IUPAC2-[(E)-2-cyclohexylethenyl]oxane
SMILESC(=C/C1CCCCO1)\C1CCCCC1
InChIInChI=1S/C13H22O/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h9-10,12-13H,1-8,11H2/b10-9+
InChIKeyJPVUKWUJOOIWDP-MDZDMXLPSA-N
MW194.32 g/mol
LogP3.69
Rot. Bonds2

About 2-[(E)-2-cyclohexylethenyl]oxane

2-[(E)-2-cyclohexylethenyl]oxane (PubChem CID 102306729) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-[(E)-2-cyclohexylethenyl]oxane.

Molecular Properties

Compound Name2-[(E)-2-cyclohexylethenyl]oxane
PubChem CID102306729
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name2-[(E)-2-cyclohexylethenyl]oxane
SMILESC(=C/C1CCCCO1)\C1CCCCC1
InChIInChI=1S/C13H22O/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h9-10,12-13H,1-8,11H2/b10-9+
InChIKeyJPVUKWUJOOIWDP-MDZDMXLPSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-2-cyclohexylethenyl]oxane?
The IUPAC name of 2-[(E)-2-cyclohexylethenyl]oxane (CID 102306729) is 2-[(E)-2-cyclohexylethenyl]oxane.
What is the SMILES notation for 2-[(E)-2-cyclohexylethenyl]oxane?
The canonical SMILES for 2-[(E)-2-cyclohexylethenyl]oxane is C(=C/C1CCCCO1)\C1CCCCC1.
What is the InChIKey of 2-[(E)-2-cyclohexylethenyl]oxane?
The InChIKey is JPVUKWUJOOIWDP-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H22O/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h9-10,12-13H,1-8,11H2/b10-9+.
What are the key properties of 2-[(E)-2-cyclohexylethenyl]oxane?
2-[(E)-2-cyclohexylethenyl]oxane has a molecular weight of 194.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-cyclohexylethenyl]oxane is sourced from PubChem (CID 102306729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).