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

C9H10O2S — CID 66779635

IUPAC5-prop-2-enyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC=CCc1scc2c1OCCO2
InChIInChI=1S/C9H10O2S/c1-2-3-8-9-7(6-12-8)10-4-5-11-9/h2,6H,1,3-5H2
InChIKeyCMZAMHZTAPEDPM-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.25
Rot. Bonds2

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

5-prop-2-enyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 66779635) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 5-prop-2-enyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-prop-2-enyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID66779635
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name5-prop-2-enyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC=CCc1scc2c1OCCO2
InChIInChI=1S/C9H10O2S/c1-2-3-8-9-7(6-12-8)10-4-5-11-9/h2,6H,1,3-5H2
InChIKeyCMZAMHZTAPEDPM-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-prop-2-enyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 66779635) is 5-prop-2-enyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-prop-2-enyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-prop-2-enyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is C=CCc1scc2c1OCCO2.
What is the InChIKey of 5-prop-2-enyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is CMZAMHZTAPEDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-2-3-8-9-7(6-12-8)10-4-5-11-9/h2,6H,1,3-5H2.
What are the key properties of 5-prop-2-enyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-prop-2-enyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 182.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 66779635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).