3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

C22H26O6S2 — CID 172828466

IUPAC3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC1=C(COCC2COc3cscc3O2)CCC(COCC2COc3cscc3O2)C1
InChIInChI=1S/C22H26O6S2/c1-2-16(6-24-8-18-10-26-20-12-30-14-22(20)28-18)4-3-15(1)5-23-7-17-9-25-19-11-29-13-21(19)27-17/h1,11-14,16-18H,2-10H2
InChIKeyVESVNOPUPGTPGC-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.55
Rot. Bonds8

About 3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 172828466) has the molecular formula C22H26O6S2 and a molecular weight of 450.58 g/mol. Its IUPAC name is 3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID172828466
Molecular FormulaC22H26O6S2
Molecular Weight450.58 g/mol
Exact Mass450.12
IUPAC Name3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC1=C(COCC2COc3cscc3O2)CCC(COCC2COc3cscc3O2)C1
InChIInChI=1S/C22H26O6S2/c1-2-16(6-24-8-18-10-26-20-12-30-14-22(20)28-18)4-3-15(1)5-23-7-17-9-25-19-11-29-13-21(19)27-17/h1,11-14,16-18H,2-10H2
InChIKeyVESVNOPUPGTPGC-UHFFFAOYSA-N
XLogP4.55
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-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-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 172828466) is 3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is C1=C(COCC2COc3cscc3O2)CCC(COCC2COc3cscc3O2)C1.
What is the InChIKey of 3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is VESVNOPUPGTPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O6S2/c1-2-16(6-24-8-18-10-26-20-12-30-14-22(20)28-18)4-3-15(1)5-23-7-17-9-25-19-11-29-13-21(19)27-17/h1,11-14,16-18H,2-10H2.
What are the key properties of 3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 450.58 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-3-ylmethoxymethyl)cyclohexen-1-yl]methoxymethyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 172828466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).