3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine

C11H16O2S — CID 20726170

IUPAC3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
SMILESCc1sc(C)c2c1OCC(C)(C)CO2
InChIInChI=1S/C11H16O2S/c1-7-9-10(8(2)14-7)13-6-11(3,4)5-12-9/h5-6H2,1-4H3
InChIKeyHXGZRCHSJLPXNS-UHFFFAOYSA-N
MW212.31 g/mol
LogP3.16
Rot. Bonds

About 3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine

3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine (PubChem CID 20726170) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine.

Molecular Properties

Compound Name3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
PubChem CID20726170
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
SMILESCc1sc(C)c2c1OCC(C)(C)CO2
InChIInChI=1S/C11H16O2S/c1-7-9-10(8(2)14-7)13-6-11(3,4)5-12-9/h5-6H2,1-4H3
InChIKeyHXGZRCHSJLPXNS-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine with MolForge

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Related Compounds

5,7-Dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18716605
(3,4-Dibutoxy-5-methylthiophen-2-yl)-trimethylsilane
CID 59664288
3,3-Difluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 130182524
(3-Fluoro-6,8-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepin-3-yl)phosphane
CID 130182634
2,5-Dimethyl-3,4-bis(3,3,3-trifluoropropoxy)thiophene
CID 145344251
3,3-Difluoro-6,8-di(propan-2-yl)-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 145767323
6,8-Dimethyl-3,3-bis(4,4,6,6-tetrafluorooctoxymethyl)-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 157274997
3-(4,4,6,6,8,8,8-Heptafluorooctoxymethyl)-6,8-dimethyl-3-(4,4,6,6-tetrafluorooctoxymethyl)-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 158794557
6,8-Diethynyl-3,3-dioctyl-3,4-dihydro-2h-thieno[3,4-b][1,4]dioxepine
CID 101953024
Diethyl 3,3-bis(ethoxymethyl)-3,4-dihydro-2h-thieno[3,4-b][1,4]dioxepine
CID 134814573
3,4-Dimethoxy-2,5-dimethylthiophene
CID 15640918
5,7-Diethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18346348

Frequently Asked Questions

What is the IUPAC name of 3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine?
The IUPAC name of 3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine (CID 20726170) is 3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine.
What is the SMILES notation for 3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine?
The canonical SMILES for 3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine is Cc1sc(C)c2c1OCC(C)(C)CO2.
What is the InChIKey of 3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine?
The InChIKey is HXGZRCHSJLPXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-7-9-10(8(2)14-7)13-6-11(3,4)5-12-9/h5-6H2,1-4H3.
What are the key properties of 3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine?
3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine has a molecular weight of 212.31 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,8-tetramethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine is sourced from PubChem (CID 20726170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).