[7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol

C14H14O6S2 — CID 21049571

IUPAC[7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol
SMILESOCC1COc2c(csc2-c2scc3c2OCC(CO)O3)O1
InChIInChI=1S/C14H14O6S2/c15-1-7-3-17-11-9(19-7)5-21-13(11)14-12-10(6-22-14)20-8(2-16)4-18-12/h5-8,15-16H,1-4H2
InChIKeyRWANIWQABOBLOS-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.74
Rot. Bonds3

About [7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol

[7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol (PubChem CID 21049571) has the molecular formula C14H14O6S2 and a molecular weight of 342.39 g/mol. Its IUPAC name is [7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol.

Molecular Properties

Compound Name[7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol
PubChem CID21049571
Molecular FormulaC14H14O6S2
Molecular Weight342.39 g/mol
Exact Mass342.02
IUPAC Name[7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol
SMILESOCC1COc2c(csc2-c2scc3c2OCC(CO)O3)O1
InChIInChI=1S/C14H14O6S2/c15-1-7-3-17-11-9(19-7)5-21-13(11)14-12-10(6-22-14)20-8(2-16)4-18-12/h5-8,15-16H,1-4H2
InChIKeyRWANIWQABOBLOS-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 [7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-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 [7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol?
The IUPAC name of [7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol (CID 21049571) is [7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol.
What is the SMILES notation for [7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol?
The canonical SMILES for [7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol is OCC1COc2c(csc2-c2scc3c2OCC(CO)O3)O1.
What is the InChIKey of [7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol?
The InChIKey is RWANIWQABOBLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O6S2/c15-1-7-3-17-11-9(19-7)5-21-13(11)14-12-10(6-22-14)20-8(2-16)4-18-12/h5-8,15-16H,1-4H2.
What are the key properties of [7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol?
[7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-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 [7-[3-(hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-3-yl]methanol is sourced from PubChem (CID 21049571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).