8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine

C16H18O4S2 — CID 155351047

IUPAC8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine
SMILESCc1sc(-c2sc(C)c3c2OCCCO3)c2c1OCCCO2
InChIInChI=1S/C16H18O4S2/c1-9-11-13(19-7-3-5-17-11)15(21-9)16-14-12(10(2)22-16)18-6-4-8-20-14/h3-8H2,1-2H3
InChIKeyAJDPWMLVWBTVKI-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.42
Rot. Bonds1

About 8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine

8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine (PubChem CID 155351047) has the molecular formula C16H18O4S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine.

Molecular Properties

Compound Name8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine
PubChem CID155351047
Molecular FormulaC16H18O4S2
Molecular Weight338.45 g/mol
Exact Mass338.06
IUPAC Name8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine
SMILESCc1sc(-c2sc(C)c3c2OCCCO3)c2c1OCCCO2
InChIInChI=1S/C16H18O4S2/c1-9-11-13(19-7-3-5-17-11)15(21-9)16-14-12(10(2)22-16)18-6-4-8-20-14/h3-8H2,1-2H3
InChIKeyAJDPWMLVWBTVKI-UHFFFAOYSA-N
XLogP4.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine?
The IUPAC name of 8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine (CID 155351047) is 8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine.
What is the SMILES notation for 8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine?
The canonical SMILES for 8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine is Cc1sc(-c2sc(C)c3c2OCCCO3)c2c1OCCCO2.
What is the InChIKey of 8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine?
The InChIKey is AJDPWMLVWBTVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S2/c1-9-11-13(19-7-3-5-17-11)15(21-9)16-14-12(10(2)22-16)18-6-4-8-20-14/h3-8H2,1-2H3.
What are the key properties of 8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine?
8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine has a molecular weight of 338.45 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(8-methyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine is sourced from PubChem (CID 155351047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).