2-but-2-enylidene-3-methylidene-1,4-dioxane

C9H12O2 — CID 123458039

IUPAC2-but-2-enylidene-3-methylidene-1,4-dioxane
SMILESC=C1OCCOC1=CC=CC
InChIInChI=1S/C9H12O2/c1-3-4-5-9-8(2)10-6-7-11-9/h3-5H,2,6-7H2,1H3
InChIKeyKDDMHJMBUDJZBV-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.01
Rot. Bonds1

About 2-but-2-enylidene-3-methylidene-1,4-dioxane

2-but-2-enylidene-3-methylidene-1,4-dioxane (PubChem CID 123458039) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-but-2-enylidene-3-methylidene-1,4-dioxane.

Molecular Properties

Compound Name2-but-2-enylidene-3-methylidene-1,4-dioxane
PubChem CID123458039
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-but-2-enylidene-3-methylidene-1,4-dioxane
SMILESC=C1OCCOC1=CC=CC
InChIInChI=1S/C9H12O2/c1-3-4-5-9-8(2)10-6-7-11-9/h3-5H,2,6-7H2,1H3
InChIKeyKDDMHJMBUDJZBV-UHFFFAOYSA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-but-2-enylidene-3-methylidene-1,4-dioxane?
The IUPAC name of 2-but-2-enylidene-3-methylidene-1,4-dioxane (CID 123458039) is 2-but-2-enylidene-3-methylidene-1,4-dioxane.
What is the SMILES notation for 2-but-2-enylidene-3-methylidene-1,4-dioxane?
The canonical SMILES for 2-but-2-enylidene-3-methylidene-1,4-dioxane is C=C1OCCOC1=CC=CC.
What is the InChIKey of 2-but-2-enylidene-3-methylidene-1,4-dioxane?
The InChIKey is KDDMHJMBUDJZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-4-5-9-8(2)10-6-7-11-9/h3-5H,2,6-7H2,1H3.
What are the key properties of 2-but-2-enylidene-3-methylidene-1,4-dioxane?
2-but-2-enylidene-3-methylidene-1,4-dioxane has a molecular weight of 152.19 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enylidene-3-methylidene-1,4-dioxane is sourced from PubChem (CID 123458039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).