5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

C28H28O6S4 — CID 101124360

IUPAC5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCCCCCc1c(-c2scc3c2OCCO3)sc(-c2scc3c2OCCO3)c1-c1scc2c1OCCO2
InChIInChI=1S/C28H28O6S4/c1-2-3-4-5-6-16-20(25-21-17(13-35-25)29-7-10-32-21)26(28-23-19(15-37-28)31-9-12-34-23)38-24(16)27-22-18(14-36-27)30-8-11-33-22/h13-15H,2-12H2,1H3
InChIKeyBXOONESEGKSPAM-UHFFFAOYSA-N
MW588.79 g/mol
LogP8.37
Rot. Bonds8

About 5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 101124360) has the molecular formula C28H28O6S4 and a molecular weight of 588.79 g/mol. Its IUPAC name is 5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID101124360
Molecular FormulaC28H28O6S4
Molecular Weight588.79 g/mol
Exact Mass588.08
IUPAC Name5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCCCCCc1c(-c2scc3c2OCCO3)sc(-c2scc3c2OCCO3)c1-c1scc2c1OCCO2
InChIInChI=1S/C28H28O6S4/c1-2-3-4-5-6-16-20(25-21-17(13-35-25)29-7-10-32-21)26(28-23-19(15-37-28)31-9-12-34-23)38-24(16)27-22-18(14-36-27)30-8-11-33-22/h13-15H,2-12H2,1H3
InChIKeyBXOONESEGKSPAM-UHFFFAOYSA-N
XLogP8.37
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.79
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[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

5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2-[5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-heptyl-2-pyridinyl]-4-heptylpyridine
CID 101010178
5-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-7-(7-ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 129214313
5-[5-[7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]pentyl-triethoxysilane
CID 102520742
5-[3-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4,5-bis(octylsulfanyl)-2-benzothiophen-1-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 101104625
6,8-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-3,3-dimethyl-2,4-dihydrothieno[3,4-b][1,4]dioxepine
CID 171060555
7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-[5-[5-[5-[5-(2-methylbutan-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 129214308
5-hexyl-7-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 70808035
5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-(9,9-dioctylfluoren-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 101073016
7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-5-propan-2-ylsulfanyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 147519853
5,7-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-d]pyridazine-1,4-dione
CID 101480670
2,22-di(nonyl)-6,9,12,15,18,26,29,32,35,38-decaoxapentacyclo[21.17.0.03,21.05,19.025,39]tetraconta-1,3,5(19),20,22,24,39-heptaene
CID 15832778
2,22-dihexyl-6,9,12,15,18,26,29,32,35,38-decaoxapentacyclo[21.17.0.03,21.05,19.025,39]tetraconta-1,3,5(19),20,22,24,39-heptaene
CID 15832773

Frequently Asked Questions

What is the IUPAC name of 5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 101124360) is 5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is CCCCCCc1c(-c2scc3c2OCCO3)sc(-c2scc3c2OCCO3)c1-c1scc2c1OCCO2.
What is the InChIKey of 5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is BXOONESEGKSPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O6S4/c1-2-3-4-5-6-16-20(25-21-17(13-35-25)29-7-10-32-21)26(28-23-19(15-37-28)31-9-12-34-23)38-24(16)27-22-18(14-36-27)30-8-11-33-22/h13-15H,2-12H2,1H3.
What are the key properties of 5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 588.79 g/mol, XLogP of 8.37, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-4-hexylthiophen-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 101124360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).