[5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol

C14H14O6S2 — CID 21049572

IUPAC[5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol
SMILESOCC1COc2csc(-c3scc4c3OC(CO)CO4)c2O1
InChIInChI=1S/C14H14O6S2/c15-1-7-3-17-9-5-21-13(11(9)19-7)14-12-10(6-22-14)18-4-8(2-16)20-12/h5-8,15-16H,1-4H2
InChIKeyTYEKYOQKMLCKCL-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.74
Rot. Bonds3

About [5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol

[5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol (PubChem CID 21049572) has the molecular formula C14H14O6S2 and a molecular weight of 342.39 g/mol. Its IUPAC name is [5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol.

Molecular Properties

Compound Name[5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol
PubChem CID21049572
Molecular FormulaC14H14O6S2
Molecular Weight342.39 g/mol
Exact Mass342.02
IUPAC Name[5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol
SMILESOCC1COc2csc(-c3scc4c3OC(CO)CO4)c2O1
InChIInChI=1S/C14H14O6S2/c15-1-7-3-17-9-5-21-13(11(9)19-7)14-12-10(6-22-14)18-4-8(2-16)20-12/h5-8,15-16H,1-4H2
InChIKeyTYEKYOQKMLCKCL-UHFFFAOYSA-N
XLogP1.74
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol?
The IUPAC name of [5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol (CID 21049572) is [5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol.
What is the SMILES notation for [5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol?
The canonical SMILES for [5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol is OCC1COc2csc(-c3scc4c3OC(CO)CO4)c2O1.
What is the InChIKey of [5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol?
The InChIKey is TYEKYOQKMLCKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O6S2/c15-1-7-3-17-9-5-21-13(11(9)19-7)14-12-10(6-22-14)18-4-8(2-16)20-12/h5-8,15-16H,1-4H2.
What are the key properties of [5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol?
[5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol has a molecular weight of 342.39 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol is sourced from PubChem (CID 21049572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).