5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane

C13H22O2 — CID 141165843

IUPAC5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane
SMILESC=CCC1OC(C)(C)OCC1C/C=C/C
InChIInChI=1S/C13H22O2/c1-5-7-9-11-10-14-13(3,4)15-12(11)8-6-2/h5-7,11-12H,2,8-10H2,1,3-4H3/b7-5+
InChIKeyOLUDNJPASGVOCE-FNORWQNLSA-N
MW210.32 g/mol
LogP3.30
Rot. Bonds4

About 5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane

5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane (PubChem CID 141165843) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane.

Molecular Properties

Compound Name5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane
PubChem CID141165843
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane
SMILESC=CCC1OC(C)(C)OCC1C/C=C/C
InChIInChI=1S/C13H22O2/c1-5-7-9-11-10-14-13(3,4)15-12(11)8-6-2/h5-7,11-12H,2,8-10H2,1,3-4H3/b7-5+
InChIKeyOLUDNJPASGVOCE-FNORWQNLSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.30
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 5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane?
The IUPAC name of 5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane (CID 141165843) is 5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane.
What is the SMILES notation for 5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane?
The canonical SMILES for 5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane is C=CCC1OC(C)(C)OCC1C/C=C/C.
What is the InChIKey of 5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane?
The InChIKey is OLUDNJPASGVOCE-FNORWQNLSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-7-9-11-10-14-13(3,4)15-12(11)8-6-2/h5-7,11-12H,2,8-10H2,1,3-4H3/b7-5+.
What are the key properties of 5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane?
5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane has a molecular weight of 210.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-enyl]-2,2-dimethyl-4-prop-2-enyl-1,3-dioxane is sourced from PubChem (CID 141165843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).