5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one

C9H10O2S — CID 15643884

IUPAC5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one
SMILESCC1(C)CC(=O)c2sccc2O1
InChIInChI=1S/C9H10O2S/c1-9(2)5-6(10)8-7(11-9)3-4-12-8/h3-4H,5H2,1-2H3
InChIKeyNGCQGLVSMGNFAB-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.49
Rot. Bonds

About 5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one

5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one (PubChem CID 15643884) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one.

Molecular Properties

Compound Name5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one
PubChem CID15643884
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one
SMILESCC1(C)CC(=O)c2sccc2O1
InChIInChI=1S/C9H10O2S/c1-9(2)5-6(10)8-7(11-9)3-4-12-8/h3-4H,5H2,1-2H3
InChIKeyNGCQGLVSMGNFAB-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one?
The IUPAC name of 5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one (CID 15643884) is 5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one.
What is the SMILES notation for 5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one?
The canonical SMILES for 5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one is CC1(C)CC(=O)c2sccc2O1.
What is the InChIKey of 5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one?
The InChIKey is NGCQGLVSMGNFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-9(2)5-6(10)8-7(11-9)3-4-12-8/h3-4H,5H2,1-2H3.
What are the key properties of 5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one?
5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one has a molecular weight of 182.24 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one is sourced from PubChem (CID 15643884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).