(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane

C11H18O2 — CID 142967915

IUPAC(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane
SMILESC=C1COCO/C1=C/C=C\C.CC
InChIInChI=1S/C9H12O2.C2H6/c1-3-4-5-9-8(2)6-10-7-11-9;1-2/h3-5H,2,6-7H2,1H3;1-2H3/b4-3-,9-5+;
InChIKeyKXSUATRDLYMJGF-PIJLWJNCSA-N
MW182.26 g/mol
LogP3.03
Rot. Bonds1

About (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane

(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane (PubChem CID 142967915) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane.

Molecular Properties

Compound Name(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane
PubChem CID142967915
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane
SMILESC=C1COCO/C1=C/C=C\C.CC
InChIInChI=1S/C9H12O2.C2H6/c1-3-4-5-9-8(2)6-10-7-11-9;1-2/h3-5H,2,6-7H2,1H3;1-2H3/b4-3-,9-5+;
InChIKeyKXSUATRDLYMJGF-PIJLWJNCSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane?
The IUPAC name of (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane (CID 142967915) is (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane.
What is the SMILES notation for (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane?
The canonical SMILES for (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane is C=C1COCO/C1=C/C=C\C.CC.
What is the InChIKey of (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane?
The InChIKey is KXSUATRDLYMJGF-PIJLWJNCSA-N. The full InChI is InChI=1S/C9H12O2.C2H6/c1-3-4-5-9-8(2)6-10-7-11-9;1-2/h3-5H,2,6-7H2,1H3;1-2H3/b4-3-,9-5+;.
What are the key properties of (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane?
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane has a molecular weight of 182.26 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1,3-dioxane;ethane is sourced from PubChem (CID 142967915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).