tributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane

C24H44O2SSn — CID 11071330

IUPACtributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane
SMILESCCCCCCc1sc([Sn](CCCC)(CCCC)CCCC)c2c1OCCO2
InChIInChI=1S/C12H17O2S.3C4H9.Sn/c1-2-3-4-5-6-11-12-10(9-15-11)13-7-8-14-12;3*1-3-4-2;/h2-8H2,1H3;3*1,3-4H2,2H3;
InChIKeyQYPSBNHYKUTTKH-UHFFFAOYSA-N
MW515.39 g/mol
LogP7.70
Rot. Bonds15

About tributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane

tributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane (PubChem CID 11071330) has the molecular formula C24H44O2SSn and a molecular weight of 515.39 g/mol. Its IUPAC name is tributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane.

Molecular Properties

Compound Nametributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane
PubChem CID11071330
Molecular FormulaC24H44O2SSn
Molecular Weight515.39 g/mol
Exact Mass516.21
IUPAC Nametributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane
SMILESCCCCCCc1sc([Sn](CCCC)(CCCC)CCCC)c2c1OCCO2
InChIInChI=1S/C12H17O2S.3C4H9.Sn/c1-2-3-4-5-6-11-12-10(9-15-11)13-7-8-14-12;3*1-3-4-2;/h2-8H2,1H3;3*1,3-4H2,2H3;
InChIKeyQYPSBNHYKUTTKH-UHFFFAOYSA-N
XLogP7.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.39
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane with MolForge

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Related Compounds

Thieno[3,4-b]-1,4-dioxin, 5-hexyl-2,3-dihydro-
CID 11020600
5,7-Dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18716605
k01Prr15 1a
CID 101549569
5-Ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 68087843
5,7-Dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 145344236
(3,4-Bis(dodecyloxy)thiophene-2,5-diyl)dimethanol
CID 102048537
3,4-Di(2-ethylhexyloxy)-2,5-diethynylthiophene
CID 129866783
Diethyl 3,3-bis(ethoxymethyl)-3,4-dihydro-2h-thieno[3,4-b][1,4]dioxepine
CID 134814573
Tributyl-(7-dodecyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane
CID 135078401
5,7-Diethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18346348
5,7-Diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18346349
5,7-Diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18346350

Frequently Asked Questions

What is the IUPAC name of tributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane?
The IUPAC name of tributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane (CID 11071330) is tributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane.
What is the SMILES notation for tributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane?
The canonical SMILES for tributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane is CCCCCCc1sc([Sn](CCCC)(CCCC)CCCC)c2c1OCCO2.
What is the InChIKey of tributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane?
The InChIKey is QYPSBNHYKUTTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O2S.3C4H9.Sn/c1-2-3-4-5-6-11-12-10(9-15-11)13-7-8-14-12;3*1-3-4-2;/h2-8H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane?
tributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane has a molecular weight of 515.39 g/mol, XLogP of 7.70, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(7-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane is sourced from PubChem (CID 11071330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).