(2E,3E)-2-[(Z)-3-methylsulfanylprop-2-enylidene]-3-propylidene-1,4-dioxane

C11H16O2S — CID 142042284

IUPAC(2E,3E)-2-[(Z)-3-methylsulfanylprop-2-enylidene]-3-propylidene-1,4-dioxane
SMILESCC/C=C1/OCCO/C1=C/C=C\SC
InChIInChI=1S/C11H16O2S/c1-3-5-10-11(6-4-9-14-2)13-8-7-12-10/h4-6,9H,3,7-8H2,1-2H3/b9-4-,10-5+,11-6+
InChIKeySHGOANJAZAXUJL-VLAYGKBTSA-N
MW212.31 g/mol
LogP3.09
Rot. Bonds3

About (2E,3E)-2-[(Z)-3-methylsulfanylprop-2-enylidene]-3-propylidene-1,4-dioxane

(2E,3E)-2-[(Z)-3-methylsulfanylprop-2-enylidene]-3-propylidene-1,4-dioxane (PubChem CID 142042284) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is (2E,3E)-2-[(Z)-3-methylsulfanylprop-2-enylidene]-3-propylidene-1,4-dioxane.

Molecular Properties

Compound Name(2E,3E)-2-[(Z)-3-methylsulfanylprop-2-enylidene]-3-propylidene-1,4-dioxane
PubChem CID142042284
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name(2E,3E)-2-[(Z)-3-methylsulfanylprop-2-enylidene]-3-propylidene-1,4-dioxane
SMILESCC/C=C1/OCCO/C1=C/C=C\SC
InChIInChI=1S/C11H16O2S/c1-3-5-10-11(6-4-9-14-2)13-8-7-12-10/h4-6,9H,3,7-8H2,1-2H3/b9-4-,10-5+,11-6+
InChIKeySHGOANJAZAXUJL-VLAYGKBTSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z,3Z)-3-(methylsulfanylmethylidene)-2-propylideneoxolane
CID 142123041
(4E,5E)-4-prop-2-enylidene-5-propylidene-1,3-dioxolane
CID 89377812
(4E,5E)-4-ethylidene-5-propylidene-1,3-dioxolane
CID 88980689
(2E,3Z)-2-ethylidene-3-propylideneoxolane
CID 142121655
2-but-2-enylidene-3-methylidene-1,4-dioxane
CID 123458039
1-methylsulfanylbut-1-ene
CID 519416
(2E,3Z)-6-methyl-2-prop-2-enylidene-3-propylideneoxepane
CID 143166519
2-propylidene-1,3-dioxole
CID 141300846
(4E,5E)-4-[(Z)-pent-3-en-2-ylidene]-5-propylidene-1,3-dioxolane
CID 144916469
1,3-di(propylidene)cyclobutane
CID 123878518
(4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane
CID 143483101
(3E)-3-propylideneoxan-2-one
CID 13398830

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-[(Z)-3-methylsulfanylprop-2-enylidene]-3-propylidene-1,4-dioxane?
The IUPAC name of (2E,3E)-2-[(Z)-3-methylsulfanylprop-2-enylidene]-3-propylidene-1,4-dioxane (CID 142042284) is (2E,3E)-2-[(Z)-3-methylsulfanylprop-2-enylidene]-3-propylidene-1,4-dioxane.
What is the SMILES notation for (2E,3E)-2-[(Z)-3-methylsulfanylprop-2-enylidene]-3-propylidene-1,4-dioxane?
The canonical SMILES for (2E,3E)-2-[(Z)-3-methylsulfanylprop-2-enylidene]-3-propylidene-1,4-dioxane is CC/C=C1/OCCO/C1=C/C=C\SC.
What is the InChIKey of (2E,3E)-2-[(Z)-3-methylsulfanylprop-2-enylidene]-3-propylidene-1,4-dioxane?
The InChIKey is SHGOANJAZAXUJL-VLAYGKBTSA-N. The full InChI is InChI=1S/C11H16O2S/c1-3-5-10-11(6-4-9-14-2)13-8-7-12-10/h4-6,9H,3,7-8H2,1-2H3/b9-4-,10-5+,11-6+.
What are the key properties of (2E,3E)-2-[(Z)-3-methylsulfanylprop-2-enylidene]-3-propylidene-1,4-dioxane?
(2E,3E)-2-[(Z)-3-methylsulfanylprop-2-enylidene]-3-propylidene-1,4-dioxane has a molecular weight of 212.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-[(Z)-3-methylsulfanylprop-2-enylidene]-3-propylidene-1,4-dioxane is sourced from PubChem (CID 142042284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).