(4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane

C9H12O2 — CID 143483101

IUPAC(4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane
SMILESC/C=C/C=C1/OCO/C1=C/C
InChIInChI=1S/C9H12O2/c1-3-5-6-9-8(4-2)10-7-11-9/h3-6H,7H2,1-2H3/b5-3+,8-4+,9-6+
InChIKeyLUSMEYKNGAHUBK-UVMBBVGVSA-N
MW152.19 g/mol
LogP2.35
Rot. Bonds1

About (4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane

(4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane (PubChem CID 143483101) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane.

Molecular Properties

Compound Name(4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane
PubChem CID143483101
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane
SMILESC/C=C/C=C1/OCO/C1=C/C
InChIInChI=1S/C9H12O2/c1-3-5-6-9-8(4-2)10-7-11-9/h3-6H,7H2,1-2H3/b5-3+,8-4+,9-6+
InChIKeyLUSMEYKNGAHUBK-UVMBBVGVSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane?
The IUPAC name of (4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane (CID 143483101) is (4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane.
What is the SMILES notation for (4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane?
The canonical SMILES for (4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane is C/C=C/C=C1/OCO/C1=C/C.
What is the InChIKey of (4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane?
The InChIKey is LUSMEYKNGAHUBK-UVMBBVGVSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-5-6-9-8(4-2)10-7-11-9/h3-6H,7H2,1-2H3/b5-3+,8-4+,9-6+.
What are the key properties of (4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane?
(4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane has a molecular weight of 152.19 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane is sourced from PubChem (CID 143483101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).