3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C14H14O4S2 — CID 21049570

IUPAC3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCC1COc2c(csc2-c2scc3c2OCC(C)O3)O1
InChIInChI=1S/C14H14O4S2/c1-7-3-15-11-9(17-7)5-19-13(11)14-12-10(6-20-14)18-8(2)4-16-12/h5-8H,3-4H2,1-2H3
InChIKeyURRRYISOKKALNG-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.80
Rot. Bonds1

About 3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 21049570) has the molecular formula C14H14O4S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID21049570
Molecular FormulaC14H14O4S2
Molecular Weight310.40 g/mol
Exact Mass310.03
IUPAC Name3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCC1COc2c(csc2-c2scc3c2OCC(C)O3)O1
InChIInChI=1S/C14H14O4S2/c1-7-3-15-11-9(17-7)5-19-13(11)14-12-10(6-20-14)18-8(2)4-16-12/h5-8H,3-4H2,1-2H3
InChIKeyURRRYISOKKALNG-UHFFFAOYSA-N
XLogP3.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 21049570) is 3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is CC1COc2c(csc2-c2scc3c2OCC(C)O3)O1.
What is the InChIKey of 3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is URRRYISOKKALNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S2/c1-7-3-15-11-9(17-7)5-19-13(11)14-12-10(6-20-14)18-8(2)4-16-12/h5-8H,3-4H2,1-2H3.
What are the key properties of 3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 310.40 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 21049570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).