5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine

C18H26O6S3 — CID 101342011

IUPAC5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine
SMILESC1COC2C(CSC2C2SC(C3SCC4OCCOC43)C3OCCOC32)O1
InChIInChI=1S/C18H26O6S3/c1-3-21-11-9(19-1)7-25-15(11)17-13-14(24-6-5-23-13)18(27-17)16-12-10(8-26-16)20-2-4-22-12/h9-18H,1-8H2
InChIKeyKTZCLDXJWMILJR-UHFFFAOYSA-N
MW434.60 g/mol
LogP1.05
Rot. Bonds2

About 5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine

5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine (PubChem CID 101342011) has the molecular formula C18H26O6S3 and a molecular weight of 434.60 g/mol. Its IUPAC name is 5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine
PubChem CID101342011
Molecular FormulaC18H26O6S3
Molecular Weight434.60 g/mol
Exact Mass434.09
IUPAC Name5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine
SMILESC1COC2C(CSC2C2SC(C3SCC4OCCOC43)C3OCCOC32)O1
InChIInChI=1S/C18H26O6S3/c1-3-21-11-9(19-1)7-25-15(11)17-13-14(24-6-5-23-13)18(27-17)16-12-10(8-26-16)20-2-4-22-12/h9-18H,1-8H2
InChIKeyKTZCLDXJWMILJR-UHFFFAOYSA-N
XLogP1.05
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.60
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxa-5-thiabicyclo[2.2.0]hexane
CID 118209566
2-(thiiran-2-yl)oxirane
CID 154083597
3-[3-(oxetan-2-yl)thietan-2-yl]azetidine
CID 123830145
2,3-bis(thiiran-2-yl)thiirane;hydrate
CID 175321377
3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
CID 552594
(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-[1,4]dioxino[2,3-c]pyrrol-6-ium
CID 138976577
(6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90136279
2-(oxiran-2-yl)oxolane
CID 18759351
(3aS,6R,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 89160443
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 15934530
(3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 118370032
(3aR,6S,6aS)-6-bromo-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 58101934

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine (CID 101342011) is 5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine is C1COC2C(CSC2C2SC(C3SCC4OCCOC43)C3OCCOC32)O1.
What is the InChIKey of 5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine?
The InChIKey is KTZCLDXJWMILJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O6S3/c1-3-21-11-9(19-1)7-25-15(11)17-13-14(24-6-5-23-13)18(27-17)16-12-10(8-26-16)20-2-4-22-12/h9-18H,1-8H2.
What are the key properties of 5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine?
5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine has a molecular weight of 434.60 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 101342011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).