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

C9H12O2S — CID 58029729

IUPAC5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCC(C)c1scc2c1OCCO2
InChIInChI=1S/C9H12O2S/c1-6(2)9-8-7(5-12-9)10-3-4-11-8/h5-6H,3-4H2,1-2H3
InChIKeyATLVOVHCNQDPKZ-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.64
Rot. Bonds1

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

5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 58029729) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID58029729
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCC(C)c1scc2c1OCCO2
InChIInChI=1S/C9H12O2S/c1-6(2)9-8-7(5-12-9)10-3-4-11-8/h5-6H,3-4H2,1-2H3
InChIKeyATLVOVHCNQDPKZ-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 58029729) is 5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine is CC(C)c1scc2c1OCCO2.
What is the InChIKey of 5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is ATLVOVHCNQDPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-6(2)9-8-7(5-12-9)10-3-4-11-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 184.26 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 58029729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).