(2S)-2-ethenyl-1,4-dioxane

C6H10O2 — CID 162410227

IUPAC(2S)-2-ethenyl-1,4-dioxane
SMILESC=C[C@H]1COCCO1
InChIInChI=1S/C6H10O2/c1-2-6-5-7-3-4-8-6/h2,6H,1,3-5H2/t6-/m0/s1
InChIKeyWJCCNRRUTSLHLJ-LURJTMIESA-N
MW114.14 g/mol
LogP0.59
Rot. Bonds1

About (2S)-2-ethenyl-1,4-dioxane

(2S)-2-ethenyl-1,4-dioxane (PubChem CID 162410227) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (2S)-2-ethenyl-1,4-dioxane.

Molecular Properties

Compound Name(2S)-2-ethenyl-1,4-dioxane
PubChem CID162410227
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(2S)-2-ethenyl-1,4-dioxane
SMILESC=C[C@H]1COCCO1
InChIInChI=1S/C6H10O2/c1-2-6-5-7-3-4-8-6/h2,6H,1,3-5H2/t6-/m0/s1
InChIKeyWJCCNRRUTSLHLJ-LURJTMIESA-N
XLogP0.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.59
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 (2S)-2-ethenyl-1,4-dioxane?
The IUPAC name of (2S)-2-ethenyl-1,4-dioxane (CID 162410227) is (2S)-2-ethenyl-1,4-dioxane.
What is the SMILES notation for (2S)-2-ethenyl-1,4-dioxane?
The canonical SMILES for (2S)-2-ethenyl-1,4-dioxane is C=C[C@H]1COCCO1.
What is the InChIKey of (2S)-2-ethenyl-1,4-dioxane?
The InChIKey is WJCCNRRUTSLHLJ-LURJTMIESA-N. The full InChI is InChI=1S/C6H10O2/c1-2-6-5-7-3-4-8-6/h2,6H,1,3-5H2/t6-/m0/s1.
What are the key properties of (2S)-2-ethenyl-1,4-dioxane?
(2S)-2-ethenyl-1,4-dioxane has a molecular weight of 114.14 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-1,4-dioxane is sourced from PubChem (CID 162410227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).