5-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

C12H18O2S — CID 11020600

IUPAC5-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCCCCCc1scc2c1OCCO2
InChIInChI=1S/C12H18O2S/c1-2-3-4-5-6-11-12-10(9-15-11)13-7-8-14-12/h9H,2-8H2,1H3
InChIKeyQIWLEULVJYJBFW-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.64
Rot. Bonds5

About 5-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 11020600) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 5-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID11020600
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name5-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCCCCCc1scc2c1OCCO2
InChIInChI=1S/C12H18O2S/c1-2-3-4-5-6-11-12-10(9-15-11)13-7-8-14-12/h9H,2-8H2,1H3
InChIKeyQIWLEULVJYJBFW-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(Trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 134969073
2,2',3,3'-Tetrahydro-5,5'-bithieno[3,4-b][1,4]dioxine
CID 3761770
2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)acetonitrile
CID 11074018
Thieno[3,4-b]-1,4-dioxin,2,3-dihydro-5-(2-thienyl)-
CID 15488041
5,7-Dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18716605
5-Methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 23553881
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
Tributyl-(7-dodecyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane
CID 135078401
5-(2,3-Dihydrothieno[3,4-b][1,4]oxathiin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]oxathiine
CID 139195718
2-Tri-n-butylstannyl-5-n-hexyl-3,4-ethylenedioxythiophene
CID 11071330
5-(2,3,5,7-Tetrahydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 11652122

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 11020600) is 5-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is CCCCCCc1scc2c1OCCO2.
What is the InChIKey of 5-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is QIWLEULVJYJBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c1-2-3-4-5-6-11-12-10(9-15-11)13-7-8-14-12/h9H,2-8H2,1H3.
What are the key properties of 5-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 226.34 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 11020600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).