4-ethyl-3-methyl-6-thiophen-2-yl-2H-pyran

C12H14OS — CID 166897198

IUPAC4-ethyl-3-methyl-6-thiophen-2-yl-2H-pyran
SMILESCCC1=C(C)COC(c2cccs2)=C1
InChIInChI=1S/C12H14OS/c1-3-10-7-11(13-8-9(10)2)12-5-4-6-14-12/h4-7H,3,8H2,1-2H3
InChIKeyFNXMHEBJIDVUBW-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.85
Rot. Bonds2

About 4-ethyl-3-methyl-6-thiophen-2-yl-2H-pyran

4-ethyl-3-methyl-6-thiophen-2-yl-2H-pyran (PubChem CID 166897198) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-ethyl-3-methyl-6-thiophen-2-yl-2H-pyran.

Molecular Properties

Compound Name4-ethyl-3-methyl-6-thiophen-2-yl-2H-pyran
PubChem CID166897198
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name4-ethyl-3-methyl-6-thiophen-2-yl-2H-pyran
SMILESCCC1=C(C)COC(c2cccs2)=C1
InChIInChI=1S/C12H14OS/c1-3-10-7-11(13-8-9(10)2)12-5-4-6-14-12/h4-7H,3,8H2,1-2H3
InChIKeyFNXMHEBJIDVUBW-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-6-thiophen-2-yl-2H-pyran?
The IUPAC name of 4-ethyl-3-methyl-6-thiophen-2-yl-2H-pyran (CID 166897198) is 4-ethyl-3-methyl-6-thiophen-2-yl-2H-pyran.
What is the SMILES notation for 4-ethyl-3-methyl-6-thiophen-2-yl-2H-pyran?
The canonical SMILES for 4-ethyl-3-methyl-6-thiophen-2-yl-2H-pyran is CCC1=C(C)COC(c2cccs2)=C1.
What is the InChIKey of 4-ethyl-3-methyl-6-thiophen-2-yl-2H-pyran?
The InChIKey is FNXMHEBJIDVUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-3-10-7-11(13-8-9(10)2)12-5-4-6-14-12/h4-7H,3,8H2,1-2H3.
What are the key properties of 4-ethyl-3-methyl-6-thiophen-2-yl-2H-pyran?
4-ethyl-3-methyl-6-thiophen-2-yl-2H-pyran has a molecular weight of 206.31 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-6-thiophen-2-yl-2H-pyran is sourced from PubChem (CID 166897198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).