6-(5-methylthiophen-2-yl)octan-3-one

C13H20OS — CID 83929256

IUPAC6-(5-methylthiophen-2-yl)octan-3-one
SMILESCCC(=O)CCC(CC)c1ccc(C)s1
InChIInChI=1S/C13H20OS/c1-4-11(7-8-12(14)5-2)13-9-6-10(3)15-13/h6,9,11H,4-5,7-8H2,1-3H3
InChIKeyUHKHYSKVMPURRV-UHFFFAOYSA-N
MW224.37 g/mol
LogP4.31
Rot. Bonds6

About 6-(5-methylthiophen-2-yl)octan-3-one

6-(5-methylthiophen-2-yl)octan-3-one (PubChem CID 83929256) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 6-(5-methylthiophen-2-yl)octan-3-one.

Molecular Properties

Compound Name6-(5-methylthiophen-2-yl)octan-3-one
PubChem CID83929256
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name6-(5-methylthiophen-2-yl)octan-3-one
SMILESCCC(=O)CCC(CC)c1ccc(C)s1
InChIInChI=1S/C13H20OS/c1-4-11(7-8-12(14)5-2)13-9-6-10(3)15-13/h6,9,11H,4-5,7-8H2,1-3H3
InChIKeyUHKHYSKVMPURRV-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(5-methylthiophen-2-yl)octan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-phenyloctan-3-one
CID 83936524
3-(5-methylthiophen-2-yl)hexanoic acid
CID 83957673
6-(2,5-dimethylphenyl)octan-3-one
CID 83928115
2-hex-5-yn-3-yl-5-methylthiophene
CID 83929307
6-(3,4-difluorophenyl)octan-3-one
CID 83936173
2,2-bis(5-methylthiophen-2-yl)acetic acid
CID 6611979
6-(3,4-dipropoxyphenyl)octan-3-one
CID 83931984
2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 117240368
6-(4-methoxy-2,5-dimethylphenyl)octan-3-one
CID 83927787
2,5-di(octan-3-yl)thiophene
CID 151127806
6-(4-methoxy-2,3,6-trimethylphenyl)octan-3-one
CID 83939309
6-(1,3,5-trimethylpyrazol-4-yl)octan-3-one
CID 83930077

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylthiophen-2-yl)octan-3-one?
The IUPAC name of 6-(5-methylthiophen-2-yl)octan-3-one (CID 83929256) is 6-(5-methylthiophen-2-yl)octan-3-one.
What is the SMILES notation for 6-(5-methylthiophen-2-yl)octan-3-one?
The canonical SMILES for 6-(5-methylthiophen-2-yl)octan-3-one is CCC(=O)CCC(CC)c1ccc(C)s1.
What is the InChIKey of 6-(5-methylthiophen-2-yl)octan-3-one?
The InChIKey is UHKHYSKVMPURRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-4-11(7-8-12(14)5-2)13-9-6-10(3)15-13/h6,9,11H,4-5,7-8H2,1-3H3.
What are the key properties of 6-(5-methylthiophen-2-yl)octan-3-one?
6-(5-methylthiophen-2-yl)octan-3-one has a molecular weight of 224.37 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylthiophen-2-yl)octan-3-one is sourced from PubChem (CID 83929256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).