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

C9H10O2S — CID 118281565

IUPAC5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC/C=C/c1scc2c1OCCO2
InChIInChI=1S/C9H10O2S/c1-2-3-8-9-7(6-12-8)10-4-5-11-9/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyVWFFTNPMKSUOML-NSCUHMNNSA-N
MW182.24 g/mol
LogP2.55
Rot. Bonds1

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

5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 118281565) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID118281565
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC/C=C/c1scc2c1OCCO2
InChIInChI=1S/C9H10O2S/c1-2-3-8-9-7(6-12-8)10-4-5-11-9/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyVWFFTNPMKSUOML-NSCUHMNNSA-N
XLogP2.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 118281565) is 5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is C/C=C/c1scc2c1OCCO2.
What is the InChIKey of 5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is VWFFTNPMKSUOML-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H10O2S/c1-2-3-8-9-7(6-12-8)10-4-5-11-9/h2-3,6H,4-5H2,1H3/b3-2+.
What are the key properties of 5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 182.24 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-prop-1-enyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 118281565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).