5-but-1-en-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine

C10H12O2S — CID 123754995

IUPAC5-but-1-en-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC=C(CC)c1scc2c1OCCO2
InChIInChI=1S/C10H12O2S/c1-3-7(2)10-9-8(6-13-10)11-4-5-12-9/h6H,2-5H2,1H3
InChIKeyLFRFGQZDXLKYOF-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.94
Rot. Bonds2

About 5-but-1-en-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-but-1-en-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 123754995) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 5-but-1-en-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-but-1-en-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID123754995
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name5-but-1-en-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC=C(CC)c1scc2c1OCCO2
InChIInChI=1S/C10H12O2S/c1-3-7(2)10-9-8(6-13-10)11-4-5-12-9/h6H,2-5H2,1H3
InChIKeyLFRFGQZDXLKYOF-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-but-1-en-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-but-1-en-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 123754995) is 5-but-1-en-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-but-1-en-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-but-1-en-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine is C=C(CC)c1scc2c1OCCO2.
What is the InChIKey of 5-but-1-en-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is LFRFGQZDXLKYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-3-7(2)10-9-8(6-13-10)11-4-5-12-9/h6H,2-5H2,1H3.
What are the key properties of 5-but-1-en-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-but-1-en-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 196.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-1-en-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 123754995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).