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

C10H10O5S — CID 146619151

IUPAC2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl ethenyl carbonate
SMILESC=COC(=O)OCC1COc2cscc2O1
InChIInChI=1S/C10H10O5S/c1-2-12-10(11)14-4-7-3-13-8-5-16-6-9(8)15-7/h2,5-7H,1,3-4H2
InChIKeyCZRXTOAABGKBJY-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.18
Rot. Bonds3

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

2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl ethenyl carbonate (PubChem CID 146619151) has the molecular formula C10H10O5S and a molecular weight of 242.25 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl ethenyl carbonate.

Molecular Properties

Compound Name2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl ethenyl carbonate
PubChem CID146619151
Molecular FormulaC10H10O5S
Molecular Weight242.25 g/mol
Exact Mass242.02
IUPAC Name2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl ethenyl carbonate
SMILESC=COC(=O)OCC1COc2cscc2O1
InChIInChI=1S/C10H10O5S/c1-2-12-10(11)14-4-7-3-13-8-5-16-6-9(8)15-7/h2,5-7H,1,3-4H2
InChIKeyCZRXTOAABGKBJY-UHFFFAOYSA-N
XLogP2.18
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl hydrogen carbonate
CID 142879820
3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-3-yl ethenyl carbonate
CID 146619152
2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)acetohydrazide
CID 20758010
3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxy)propanoic acid
CID 45122038
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
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 ethenyl carbonate?
The IUPAC name of 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl ethenyl carbonate (CID 146619151) is 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl ethenyl carbonate.
What is the SMILES notation for 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl ethenyl carbonate?
The canonical SMILES for 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl ethenyl carbonate is C=COC(=O)OCC1COc2cscc2O1.
What is the InChIKey of 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl ethenyl carbonate?
The InChIKey is CZRXTOAABGKBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5S/c1-2-12-10(11)14-4-7-3-13-8-5-16-6-9(8)15-7/h2,5-7H,1,3-4H2.
What are the key properties of 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl ethenyl carbonate?
2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl ethenyl carbonate has a molecular weight of 242.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethyl ethenyl carbonate is sourced from PubChem (CID 146619151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).