3-(2-ethylbutyl)thiophene

C10H16S — CID 89133993

IUPAC3-(2-ethylbutyl)thiophene
SMILESCCC(CC)Cc1ccsc1
InChIInChI=1S/C10H16S/c1-3-9(4-2)7-10-5-6-11-8-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyILODFWSLGJFYNJ-UHFFFAOYSA-N
MW168.31 g/mol
LogP3.73
Rot. Bonds4

About 3-(2-ethylbutyl)thiophene

3-(2-ethylbutyl)thiophene (PubChem CID 89133993) has the molecular formula C10H16S and a molecular weight of 168.31 g/mol. Its IUPAC name is 3-(2-ethylbutyl)thiophene.

Molecular Properties

Compound Name3-(2-ethylbutyl)thiophene
PubChem CID89133993
Molecular FormulaC10H16S
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name3-(2-ethylbutyl)thiophene
SMILESCCC(CC)Cc1ccsc1
InChIInChI=1S/C10H16S/c1-3-9(4-2)7-10-5-6-11-8-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyILODFWSLGJFYNJ-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(thiophen-3-ylmethyl)butan-1-amine
CID 62503668
2-(thiophen-3-ylmethyl)butan-1-ol
CID 21301482
3-(2-hexyldecyl)thiophene
CID 67456553
3-[2-(chloromethyl)pentyl]thiophene
CID 66036116
1-thiophen-3-ylbutan-2-ylhydrazine
CID 105201099
3-(2-fluoropropyl)thiophene
CID 74766003
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
3-(2,2-dibromoethyl)thiophene
CID 174416053
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62505176

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutyl)thiophene?
The IUPAC name of 3-(2-ethylbutyl)thiophene (CID 89133993) is 3-(2-ethylbutyl)thiophene.
What is the SMILES notation for 3-(2-ethylbutyl)thiophene?
The canonical SMILES for 3-(2-ethylbutyl)thiophene is CCC(CC)Cc1ccsc1.
What is the InChIKey of 3-(2-ethylbutyl)thiophene?
The InChIKey is ILODFWSLGJFYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-3-9(4-2)7-10-5-6-11-8-10/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 3-(2-ethylbutyl)thiophene?
3-(2-ethylbutyl)thiophene has a molecular weight of 168.31 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutyl)thiophene is sourced from PubChem (CID 89133993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).