3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

C12H18O5S — CID 158165895

IUPAC3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCOCCOCCOCC1COc2cscc2O1
InChIInChI=1S/C12H18O5S/c1-13-2-3-14-4-5-15-6-10-7-16-11-8-18-9-12(11)17-10/h8-10H,2-7H2,1H3
InChIKeyUNTDPGQQVOECOA-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.57
Rot. Bonds8

About 3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 158165895) has the molecular formula C12H18O5S and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID158165895
Molecular FormulaC12H18O5S
Molecular Weight274.34 g/mol
Exact Mass274.09
IUPAC Name3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCOCCOCCOCC1COc2cscc2O1
InChIInChI=1S/C12H18O5S/c1-13-2-3-14-4-5-15-6-10-7-16-11-8-18-9-12(11)17-10/h8-10H,2-7H2,1H3
InChIKeyUNTDPGQQVOECOA-UHFFFAOYSA-N
XLogP1.57
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 158165895) is 3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is COCCOCCOCC1COc2cscc2O1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is UNTDPGQQVOECOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5S/c1-13-2-3-14-4-5-15-6-10-7-16-11-8-18-9-12(11)17-10/h8-10H,2-7H2,1H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 274.34 g/mol, XLogP of 1.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 158165895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).