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

C14H14O4S2 — CID 23569587

IUPAC7-methyl-5-(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)c3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C14H14O4S2/c1-7-9-11(17-5-3-15-9)13(19-7)14-12-10(8(2)20-14)16-4-6-18-12/h3-6H2,1-2H3
InChIKeyNIHFRPFSKDJXRA-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.64
Rot. Bonds1

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

7-methyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 23569587) has the molecular formula C14H14O4S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 7-methyl-5-(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 Name7-methyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID23569587
Molecular FormulaC14H14O4S2
Molecular Weight310.40 g/mol
Exact Mass310.03
IUPAC Name7-methyl-5-(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)c3c2OCCO3)c2c1OCCO2
InChIInChI=1S/C14H14O4S2/c1-7-9-11(17-5-3-15-9)13(19-7)14-12-10(8(2)20-14)16-4-6-18-12/h3-6H2,1-2H3
InChIKeyNIHFRPFSKDJXRA-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(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 7-methyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 23569587) is 7-methyl-5-(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 7-methyl-5-(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 7-methyl-5-(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)c3c2OCCO3)c2c1OCCO2.
What is the InChIKey of 7-methyl-5-(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 NIHFRPFSKDJXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S2/c1-7-9-11(17-5-3-15-9)13(19-7)14-12-10(8(2)20-14)16-4-6-18-12/h3-6H2,1-2H3.
What are the key properties of 7-methyl-5-(7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine?
7-methyl-5-(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 310.40 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(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 23569587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).