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

C10H12O6S — CID 171865410

IUPACmethyl 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1scc2c1OCCO2
InChIInChI=1S/C10H12O6S/c1-14-10(13)7(12)6(11)9-8-5(4-17-9)15-2-3-16-8/h4,6-7,11-12H,2-3H2,1H3
InChIKeyFIJRVSAIKOOKGP-UHFFFAOYSA-N
MW260.27 g/mol
LogP0.09
Rot. Bonds3

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

methyl 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydroxypropanoate (PubChem CID 171865410) has the molecular formula C10H12O6S and a molecular weight of 260.27 g/mol. Its IUPAC name is methyl 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydroxypropanoate
PubChem CID171865410
Molecular FormulaC10H12O6S
Molecular Weight260.27 g/mol
Exact Mass260.04
IUPAC Namemethyl 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1scc2c1OCCO2
InChIInChI=1S/C10H12O6S/c1-14-10(13)7(12)6(11)9-8-5(4-17-9)15-2-3-16-8/h4,6-7,11-12H,2-3H2,1H3
InChIKeyFIJRVSAIKOOKGP-UHFFFAOYSA-N
XLogP0.09
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-2,3-dihydroxypropanoate
CID 171864210
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxybutanoate
CID 66288795
methyl 2,3-dihydroxy-3-(3-methyl-1-benzothiophen-2-yl)propanoate
CID 171865416
methyl 3-(6-bromo-1,3-benzodioxol-5-yl)-2,3-dihydroxypropanoate
CID 171865363
methyl 2,3-dihydroxy-3-(4-oxo-2,3-dihydrochromen-7-yl)propanoate
CID 171864790
methyl 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate
CID 117357003
2,3-dihydrothieno[3,4-b][1,4]dioxine;methyl acetate
CID 175355386
3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)prop-2-enoic acid
CID 169461177
N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 11036713
methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate
CID 117466340
methyl (2S)-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)propanoate
CID 43723549
methyl (3R)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-hydroxypropanoate
CID 97168065

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydroxypropanoate (CID 171865410) is methyl 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1scc2c1OCCO2.
What is the InChIKey of methyl 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydroxypropanoate?
The InChIKey is FIJRVSAIKOOKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6S/c1-14-10(13)7(12)6(11)9-8-5(4-17-9)15-2-3-16-8/h4,6-7,11-12H,2-3H2,1H3.
What are the key properties of methyl 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydroxypropanoate?
methyl 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydroxypropanoate has a molecular weight of 260.27 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171865410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).