5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

C17H20O4S2 — CID 134312892

IUPAC5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1sc(-c2sc(C(C)(C)C)c3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C17H20O4S2/c1-9-10-11(19-6-5-18-10)14(22-9)15-12-13(21-8-7-20-12)16(23-15)17(2,3)4/h5-8H2,1-4H3
InChIKeyBORGSSGIZHVUKG-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.62
Rot. Bonds1

About 5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 134312892) has the molecular formula C17H20O4S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID134312892
Molecular FormulaC17H20O4S2
Molecular Weight352.48 g/mol
Exact Mass352.08
IUPAC Name5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCc1sc(-c2sc(C(C)(C)C)c3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C17H20O4S2/c1-9-10-11(19-6-5-18-10)14(22-9)15-12-13(21-8-7-20-12)16(23-15)17(2,3)4/h5-8H2,1-4H3
InChIKeyBORGSSGIZHVUKG-UHFFFAOYSA-N
XLogP4.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine with MolForge

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Related Compounds

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
7-tert-butyl-N,N-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-amine
CID 135160215
CID 172526149
CID 172526149
CID 89189760
CID 89189760
3,7-bis[4-(5-tert-butyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl)phenyl]furo[2,3-f][1]benzofuran-2,6-dione
CID 123953289
7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-[5-[5-[5-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 129214308
4-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N,N-diphenylaniline
CID 118066965
5,7-bis(4-methylphenyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 102336686
5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane
CID 91557080
4,6-dimethyl-2,3-dihydrothieno[3,4-b]furan
CID 118028776
3,3-bis(2-hexyldecoxymethyl)-8-methyl-6-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 171579208
5-hexyl-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 70808035

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 134312892) is 5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is Cc1sc(-c2sc(C(C)(C)C)c3c2OCCO3)c2c1OCCO2.
What is the InChIKey of 5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is BORGSSGIZHVUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4S2/c1-9-10-11(19-6-5-18-10)14(22-9)15-12-13(21-8-7-20-12)16(23-15)17(2,3)4/h5-8H2,1-4H3.
What are the key properties of 5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 352.48 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 134312892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).