(4E)-4-ethylidene-1,3-dioxolane

C5H8O2 — CID 22457291

IUPAC(4E)-4-ethylidene-1,3-dioxolane
SMILESC/C=C1\COCO1
InChIInChI=1S/C5H8O2/c1-2-5-3-6-4-7-5/h2H,3-4H2,1H3/b5-2+
InChIKeyYTAJOKMLZPHJBS-GORDUTHDSA-N
MW100.12 g/mol
LogP0.89
Rot. Bonds

About (4E)-4-ethylidene-1,3-dioxolane

(4E)-4-ethylidene-1,3-dioxolane (PubChem CID 22457291) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (4E)-4-ethylidene-1,3-dioxolane.

Molecular Properties

Compound Name(4E)-4-ethylidene-1,3-dioxolane
PubChem CID22457291
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(4E)-4-ethylidene-1,3-dioxolane
SMILESC/C=C1\COCO1
InChIInChI=1S/C5H8O2/c1-2-5-3-6-4-7-5/h2H,3-4H2,1H3/b5-2+
InChIKeyYTAJOKMLZPHJBS-GORDUTHDSA-N
XLogP0.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethylidene-1,3-dioxolane?
The IUPAC name of (4E)-4-ethylidene-1,3-dioxolane (CID 22457291) is (4E)-4-ethylidene-1,3-dioxolane.
What is the SMILES notation for (4E)-4-ethylidene-1,3-dioxolane?
The canonical SMILES for (4E)-4-ethylidene-1,3-dioxolane is C/C=C1\COCO1.
What is the InChIKey of (4E)-4-ethylidene-1,3-dioxolane?
The InChIKey is YTAJOKMLZPHJBS-GORDUTHDSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-5-3-6-4-7-5/h2H,3-4H2,1H3/b5-2+.
What are the key properties of (4E)-4-ethylidene-1,3-dioxolane?
(4E)-4-ethylidene-1,3-dioxolane has a molecular weight of 100.12 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-1,3-dioxolane is sourced from PubChem (CID 22457291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).