3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

C24H34O10S2 — CID 71273604

IUPAC3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCOCCOCCOCC1COc2c(csc2-c2scc3c2OC(COCCOCCOC)CO3)O1
InChIInChI=1S/C24H34O10S2/c1-25-3-5-27-7-9-29-11-17-14-32-21-20(33-17)16-36-23(21)24-22-19(15-35-24)31-13-18(34-22)12-30-10-8-28-6-4-26-2/h15-18H,3-14H2,1-2H3
InChIKeyQRCCMAXYDMSXHU-UHFFFAOYSA-N
MW546.66 g/mol
LogP3.12
Rot. Bonds17

About 3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 71273604) has the molecular formula C24H34O10S2 and a molecular weight of 546.66 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID71273604
Molecular FormulaC24H34O10S2
Molecular Weight546.66 g/mol
Exact Mass546.16
IUPAC Name3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCOCCOCCOCC1COc2c(csc2-c2scc3c2OC(COCCOCCOC)CO3)O1
InChIInChI=1S/C24H34O10S2/c1-25-3-5-27-7-9-29-11-17-14-32-21-20(33-17)16-36-23(21)24-22-19(15-35-24)31-13-18(34-22)12-30-10-8-28-6-4-26-2/h15-18H,3-14H2,1-2H3
InChIKeyQRCCMAXYDMSXHU-UHFFFAOYSA-N
XLogP3.12
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.66
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 71273604) is 3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is COCCOCCOCC1COc2c(csc2-c2scc3c2OC(COCCOCCOC)CO3)O1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is QRCCMAXYDMSXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O10S2/c1-25-3-5-27-7-9-29-11-17-14-32-21-20(33-17)16-36-23(21)24-22-19(15-35-24)31-13-18(34-22)12-30-10-8-28-6-4-26-2/h15-18H,3-14H2,1-2H3.
What are the key properties of 3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 546.66 g/mol, XLogP of 3.12, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethoxymethyl]-5-[3-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 71273604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).