(5E)-5-[(E)-3-methoxyprop-2-enylidene]-2,2,4,4-tetramethyl-1,3-dioxolane

C11H18O3 — CID 6434384

IUPAC(5E)-5-[(E)-3-methoxyprop-2-enylidene]-2,2,4,4-tetramethyl-1,3-dioxolane
SMILESCO/C=C/C=C1/OC(C)(C)OC1(C)C
InChIInChI=1S/C11H18O3/c1-10(2)9(7-6-8-12-5)13-11(3,4)14-10/h6-8H,1-5H3/b8-6+,9-7+
InChIKeySDLXTPXOZWLGDA-CDJQDVQCSA-N
MW198.26 g/mol
LogP2.59
Rot. Bonds2

About (5E)-5-[(E)-3-methoxyprop-2-enylidene]-2,2,4,4-tetramethyl-1,3-dioxolane

(5E)-5-[(E)-3-methoxyprop-2-enylidene]-2,2,4,4-tetramethyl-1,3-dioxolane (PubChem CID 6434384) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (5E)-5-[(E)-3-methoxyprop-2-enylidene]-2,2,4,4-tetramethyl-1,3-dioxolane.

Molecular Properties

Compound Name(5E)-5-[(E)-3-methoxyprop-2-enylidene]-2,2,4,4-tetramethyl-1,3-dioxolane
PubChem CID6434384
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(5E)-5-[(E)-3-methoxyprop-2-enylidene]-2,2,4,4-tetramethyl-1,3-dioxolane
SMILESCO/C=C/C=C1/OC(C)(C)OC1(C)C
InChIInChI=1S/C11H18O3/c1-10(2)9(7-6-8-12-5)13-11(3,4)14-10/h6-8H,1-5H3/b8-6+,9-7+
InChIKeySDLXTPXOZWLGDA-CDJQDVQCSA-N
XLogP2.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-3-methoxyprop-2-enylidene]-2,2,4,4-tetramethyl-1,3-dioxolane?
The IUPAC name of (5E)-5-[(E)-3-methoxyprop-2-enylidene]-2,2,4,4-tetramethyl-1,3-dioxolane (CID 6434384) is (5E)-5-[(E)-3-methoxyprop-2-enylidene]-2,2,4,4-tetramethyl-1,3-dioxolane.
What is the SMILES notation for (5E)-5-[(E)-3-methoxyprop-2-enylidene]-2,2,4,4-tetramethyl-1,3-dioxolane?
The canonical SMILES for (5E)-5-[(E)-3-methoxyprop-2-enylidene]-2,2,4,4-tetramethyl-1,3-dioxolane is CO/C=C/C=C1/OC(C)(C)OC1(C)C.
What is the InChIKey of (5E)-5-[(E)-3-methoxyprop-2-enylidene]-2,2,4,4-tetramethyl-1,3-dioxolane?
The InChIKey is SDLXTPXOZWLGDA-CDJQDVQCSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(2)9(7-6-8-12-5)13-11(3,4)14-10/h6-8H,1-5H3/b8-6+,9-7+.
What are the key properties of (5E)-5-[(E)-3-methoxyprop-2-enylidene]-2,2,4,4-tetramethyl-1,3-dioxolane?
(5E)-5-[(E)-3-methoxyprop-2-enylidene]-2,2,4,4-tetramethyl-1,3-dioxolane has a molecular weight of 198.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-3-methoxyprop-2-enylidene]-2,2,4,4-tetramethyl-1,3-dioxolane is sourced from PubChem (CID 6434384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).