2-ethyl-5-hex-3-ynylthiophene

C12H16S — CID 83929425

IUPAC2-ethyl-5-hex-3-ynylthiophene
SMILESCCC#CCCc1ccc(CC)s1
InChIInChI=1S/C12H16S/c1-3-5-6-7-8-12-10-9-11(4-2)13-12/h9-10H,3-4,7-8H2,1-2H3
InChIKeyUJXHSCHDEJRWDG-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.66
Rot. Bonds3

About 2-ethyl-5-hex-3-ynylthiophene

2-ethyl-5-hex-3-ynylthiophene (PubChem CID 83929425) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 2-ethyl-5-hex-3-ynylthiophene.

Molecular Properties

Compound Name2-ethyl-5-hex-3-ynylthiophene
PubChem CID83929425
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name2-ethyl-5-hex-3-ynylthiophene
SMILESCCC#CCCc1ccc(CC)s1
InChIInChI=1S/C12H16S/c1-3-5-6-7-8-12-10-9-11(4-2)13-12/h9-10H,3-4,7-8H2,1-2H3
InChIKeyUJXHSCHDEJRWDG-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-diethylthiophene
CID 521294
2-dodecyl-5-ethylthiophene
CID 528251
2-(5-ethylthiophen-2-yl)acetaldehyde
CID 63967769
2,5-dipropylthiophene
CID 587485
2-(3-bromopentyl)-5-ethylthiophene
CID 63471038
2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine
CID 83929368
1-(5-ethylthiophen-2-yl)hexan-3-one
CID 43370314
2-(4-bromopentyl)-5-ethylthiophene
CID 64507801
5-(5-ethylthiophen-2-yl)pentan-2-amine
CID 64502698
2-ethyl-5-(methylsulfanylmethyl)thiophene
CID 54083779
2-(4-chloroheptyl)-5-ethylthiophene
CID 64516621
(5-ethylthiophen-2-yl)methylcyanamide
CID 106011012

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-hex-3-ynylthiophene?
The IUPAC name of 2-ethyl-5-hex-3-ynylthiophene (CID 83929425) is 2-ethyl-5-hex-3-ynylthiophene.
What is the SMILES notation for 2-ethyl-5-hex-3-ynylthiophene?
The canonical SMILES for 2-ethyl-5-hex-3-ynylthiophene is CCC#CCCc1ccc(CC)s1.
What is the InChIKey of 2-ethyl-5-hex-3-ynylthiophene?
The InChIKey is UJXHSCHDEJRWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-3-5-6-7-8-12-10-9-11(4-2)13-12/h9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 2-ethyl-5-hex-3-ynylthiophene?
2-ethyl-5-hex-3-ynylthiophene has a molecular weight of 192.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-hex-3-ynylthiophene is sourced from PubChem (CID 83929425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).