5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[5-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3,6-dihydro-2H-cyclopenta[b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

C33H28O10S4 — CID 21348431

About 5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[5-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3,6-dihydro-2H-cyclopenta[b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[5-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3,6-dihydro-2H-cyclopenta[b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 21348431) has the molecular formula C33H28O10S4 and a molecular weight of 712.84 g/mol. Its IUPAC name is 5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[5-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3,6-dihydro-2H-cyclopenta[b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

• Compound Name: 5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[5-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3,6-dihydro-2H-cyclopenta[b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
• PubChem CID: 21348431
• Molecular Formula: C33H28O10S4
• Molecular Weight: 712.84 g/mol
• Exact Mass: 712.06
• IUPAC Name: 5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[5-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3,6-dihydro-2H-cyclopenta[b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
• SMILES: Cc1sc(-c2sc(C3=C4OCCOC4=C(c4sc(-c5sc(C)c6c5OCCO6)c5c4OCCO5)C3)c3c2OCCO3)c2c1OCCO2
• InChI: InChI=1S/C33H28O10S4/c1-14-18-22(38-7-3-34-18)30(44-14)32-26-24(40-9-11-42-26)28(46-32)16-13-17(21-20(16)36-5-6-37-21)29-25-27(43-12-10-41-25)33(47-29)31-23-19(15(2)45-31)35-4-8-39-23/h3-13H2,1-2H3
• InChIKey: QZNQGTKAOSSPBD-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 92.30 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	712.84
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[5-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3,6-dihydro-2H-cyclopenta[b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?

The IUPAC name of 5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[5-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3,6-dihydro-2H-cyclopenta[b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 21348431) is 5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[5-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3,6-dihydro-2H-cyclopenta[b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

What is the SMILES notation for 5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[5-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3,6-dihydro-2H-cyclopenta[b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?

The canonical SMILES for 5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[5-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3,6-dihydro-2H-cyclopenta[b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is Cc1sc(-c2sc(C3=C4OCCOC4=C(c4sc(-c5sc(C)c6c5OCCO6)c5c4OCCO5)C3)c3c2OCCO3)c2c1OCCO2.

What is the InChIKey of 5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[5-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3,6-dihydro-2H-cyclopenta[b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?

The InChIKey is QZNQGTKAOSSPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28O10S4/c1-14-18-22(38-7-3-34-18)30(44-14)32-26-24(40-9-11-42-26)28(46-32)16-13-17(21-20(16)36-5-6-37-21)29-25-27(43-12-10-41-25)33(47-29)31-23-19(15(2)45-31)35-4-8-39-23/h3-13H2,1-2H3.

What are the key properties of 5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[5-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3,6-dihydro-2H-cyclopenta[b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?

5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[5-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3,6-dihydro-2H-cyclopenta[b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 712.84 g/mol, XLogP of 7.54, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-[5-[5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-3,6-dihydro-2H-cyclopenta[b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 21348431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).