2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate

C8H8O5S — CID 142879820

IUPAC2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate
SMILESO=C(O)OCC1COc2cscc2O1
InChIInChI=1S/C8H8O5S/c9-8(10)12-2-5-1-11-6-3-14-4-7(6)13-5/h3-5H,1-2H2,(H,9,10)
InChIKeyUKPZQKMWJVXZAE-UHFFFAOYSA-N
MW216.21 g/mol
LogP1.58
Rot. Bonds2

About 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate

2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate (PubChem CID 142879820) has the molecular formula C8H8O5S and a molecular weight of 216.21 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate.

Molecular Properties

Compound Name2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate
PubChem CID142879820
Molecular FormulaC8H8O5S
Molecular Weight216.21 g/mol
Exact Mass216.01
IUPAC Name2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate
SMILESO=C(O)OCC1COc2cscc2O1
InChIInChI=1S/C8H8O5S/c9-8(10)12-2-5-1-11-6-3-14-4-7(6)13-5/h3-5H,1-2H2,(H,9,10)
InChIKeyUKPZQKMWJVXZAE-UHFFFAOYSA-N
XLogP1.58
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl ethenyl carbonate
CID 146619151
3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid
CID 45122038
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide
CID 20758010
ethyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-2-sulfanylacetate
CID 87767598
trimethylsilyl 2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetate
CID 20758025
3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexyl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 142745537
3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 158165895
5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)-4,4-dimethylpentanoic acid
CID 175163328
bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl carbonofluoridate);1,1,1,4-tetrafluorobutane;1,1,1,8-tetrafluorooctane
CID 91354346
2,3-dihydrothieno[3,4-b][1,4]dioxin-3-amine
CID 139489964
2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethanesulfonic acid
CID 118522969
6-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)hexan-1-amine
CID 86096746

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate?
The IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate (CID 142879820) is 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate.
What is the SMILES notation for 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate?
The canonical SMILES for 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate is O=C(O)OCC1COc2cscc2O1.
What is the InChIKey of 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate?
The InChIKey is UKPZQKMWJVXZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O5S/c9-8(10)12-2-5-1-11-6-3-14-4-7(6)13-5/h3-5H,1-2H2,(H,9,10).
What are the key properties of 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate?
2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate has a molecular weight of 216.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate is sourced from PubChem (CID 142879820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).