2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran

C10H14OS — CID 155032390

IUPAC2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran
SMILESCc1sc(C)c2c1CCC(C)O2
InChIInChI=1S/C10H14OS/c1-6-4-5-9-7(2)12-8(3)10(9)11-6/h6H,4-5H2,1-3H3
InChIKeyOHUMMJFIULVMCU-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.08
Rot. Bonds

About 2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran

2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran (PubChem CID 155032390) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran.

Molecular Properties

Compound Name2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran
PubChem CID155032390
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran
SMILESCc1sc(C)c2c1CCC(C)O2
InChIInChI=1S/C10H14OS/c1-6-4-5-9-7(2)12-8(3)10(9)11-6/h6H,4-5H2,1-3H3
InChIKeyOHUMMJFIULVMCU-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran?
The IUPAC name of 2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran (CID 155032390) is 2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran.
What is the SMILES notation for 2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran?
The canonical SMILES for 2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran is Cc1sc(C)c2c1CCC(C)O2.
What is the InChIKey of 2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran?
The InChIKey is OHUMMJFIULVMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-6-4-5-9-7(2)12-8(3)10(9)11-6/h6H,4-5H2,1-3H3.
What are the key properties of 2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran?
2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran has a molecular weight of 182.29 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-3,4-dihydro-2H-thieno[3,4-b]pyran is sourced from PubChem (CID 155032390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).