5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C18H20O2S3 — CID 129061507

IUPAC5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCC(C)c1sc(-c2sc(C(C)C)c3sccc23)c2c1OCCO2
InChIInChI=1S/C18H20O2S3/c1-9(2)14-12-13(20-7-6-19-12)18(22-14)17-11-5-8-21-16(11)15(23-17)10(3)4/h5,8-10H,6-7H2,1-4H3
InChIKeyVEDUYFASHBROEG-UHFFFAOYSA-N
MW364.56 g/mol
LogP6.71
Rot. Bonds3

About 5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 129061507) has the molecular formula C18H20O2S3 and a molecular weight of 364.56 g/mol. Its IUPAC name is 5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID129061507
Molecular FormulaC18H20O2S3
Molecular Weight364.56 g/mol
Exact Mass364.06
IUPAC Name5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCC(C)c1sc(-c2sc(C(C)C)c3sccc23)c2c1OCCO2
InChIInChI=1S/C18H20O2S3/c1-9(2)14-12-13(20-7-6-19-12)18(22-14)17-11-5-8-21-16(11)15(23-17)10(3)4/h5,8-10H,6-7H2,1-4H3
InChIKeyVEDUYFASHBROEG-UHFFFAOYSA-N
XLogP6.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.56
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 129061507) is 5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is CC(C)c1sc(-c2sc(C(C)C)c3sccc23)c2c1OCCO2.
What is the InChIKey of 5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is VEDUYFASHBROEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2S3/c1-9(2)14-12-13(20-7-6-19-12)18(22-14)17-11-5-8-21-16(11)15(23-17)10(3)4/h5,8-10H,6-7H2,1-4H3.
What are the key properties of 5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 364.56 g/mol, XLogP of 6.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-7-(6-propan-2-ylthieno[2,3-c]thiophen-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 129061507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).