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

C10H14O2S — CID 18323986

IUPAC7-methoxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran
SMILESCOC1CC(C)(C)Oc2ccsc21
InChIInChI=1S/C10H14O2S/c1-10(2)6-8(11-3)9-7(12-10)4-5-13-9/h4-5,8H,6H2,1-3H3
InChIKeyHIBKHIWVLKPXLB-UHFFFAOYSA-N
MW198.29 g/mol
LogP3.00
Rot. Bonds1

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

7-methoxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran (PubChem CID 18323986) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 7-methoxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran.

Molecular Properties

Compound Name7-methoxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran
PubChem CID18323986
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name7-methoxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran
SMILESCOC1CC(C)(C)Oc2ccsc21
InChIInChI=1S/C10H14O2S/c1-10(2)6-8(11-3)9-7(12-10)4-5-13-9/h4-5,8H,6H2,1-3H3
InChIKeyHIBKHIWVLKPXLB-UHFFFAOYSA-N
XLogP3.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran?
The IUPAC name of 7-methoxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran (CID 18323986) is 7-methoxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran.
What is the SMILES notation for 7-methoxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran?
The canonical SMILES for 7-methoxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran is COC1CC(C)(C)Oc2ccsc21.
What is the InChIKey of 7-methoxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran?
The InChIKey is HIBKHIWVLKPXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-10(2)6-8(11-3)9-7(12-10)4-5-13-9/h4-5,8H,6H2,1-3H3.
What are the key properties of 7-methoxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran?
7-methoxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran has a molecular weight of 198.29 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran is sourced from PubChem (CID 18323986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).