2-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-1,3-dioxane

C15H16O2S2 — CID 101165293

IUPAC2-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-1,3-dioxane
SMILESCc1ccc(/C=C/c2ccc(C3OCCCO3)s2)s1
InChIInChI=1S/C15H16O2S2/c1-11-3-4-12(18-11)5-6-13-7-8-14(19-13)15-16-9-2-10-17-15/h3-8,15H,2,9-10H2,1H3/b6-5+
InChIKeyGVOFKXUIDWNAAP-AATRIKPKSA-N
MW292.43 g/mol
LogP4.72
Rot. Bonds3

About 2-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-1,3-dioxane

2-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-1,3-dioxane (PubChem CID 101165293) has the molecular formula C15H16O2S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-1,3-dioxane.

Molecular Properties

Compound Name2-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-1,3-dioxane
PubChem CID101165293
Molecular FormulaC15H16O2S2
Molecular Weight292.43 g/mol
Exact Mass292.06
IUPAC Name2-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-1,3-dioxane
SMILESCc1ccc(/C=C/c2ccc(C3OCCCO3)s2)s1
InChIInChI=1S/C15H16O2S2/c1-11-3-4-12(18-11)5-6-13-7-8-14(19-13)15-16-9-2-10-17-15/h3-8,15H,2,9-10H2,1H3/b6-5+
InChIKeyGVOFKXUIDWNAAP-AATRIKPKSA-N
XLogP4.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-1,3-dioxane?
The IUPAC name of 2-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-1,3-dioxane (CID 101165293) is 2-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-1,3-dioxane.
What is the SMILES notation for 2-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-1,3-dioxane?
The canonical SMILES for 2-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-1,3-dioxane is Cc1ccc(/C=C/c2ccc(C3OCCCO3)s2)s1.
What is the InChIKey of 2-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-1,3-dioxane?
The InChIKey is GVOFKXUIDWNAAP-AATRIKPKSA-N. The full InChI is InChI=1S/C15H16O2S2/c1-11-3-4-12(18-11)5-6-13-7-8-14(19-13)15-16-9-2-10-17-15/h3-8,15H,2,9-10H2,1H3/b6-5+.
What are the key properties of 2-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-1,3-dioxane?
2-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-1,3-dioxane has a molecular weight of 292.43 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophen-2-yl]-1,3-dioxane is sourced from PubChem (CID 101165293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).