5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-ol

C9H12O2S — CID 10241494

IUPAC5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-ol
SMILESCC1(C)CC(O)c2sccc2O1
InChIInChI=1S/C9H12O2S/c1-9(2)5-6(10)8-7(11-9)3-4-12-8/h3-4,6,10H,5H2,1-2H3
InChIKeyQDXLLAHGLDGHCO-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.34
Rot. Bonds

About 5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-ol

5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-ol (PubChem CID 10241494) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-ol.

Molecular Properties

Compound Name5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-ol
PubChem CID10241494
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-ol
SMILESCC1(C)CC(O)c2sccc2O1
InChIInChI=1S/C9H12O2S/c1-9(2)5-6(10)8-7(11-9)3-4-12-8/h3-4,6,10H,5H2,1-2H3
InChIKeyQDXLLAHGLDGHCO-UHFFFAOYSA-N
XLogP2.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-ol?
The IUPAC name of 5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-ol (CID 10241494) is 5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-ol.
What is the SMILES notation for 5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-ol?
The canonical SMILES for 5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-ol is CC1(C)CC(O)c2sccc2O1.
What is the InChIKey of 5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-ol?
The InChIKey is QDXLLAHGLDGHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-9(2)5-6(10)8-7(11-9)3-4-12-8/h3-4,6,10H,5H2,1-2H3.
What are the key properties of 5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-ol?
5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-ol has a molecular weight of 184.26 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-ol is sourced from PubChem (CID 10241494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).