2-ethyl-5-hex-5-yn-3-ylthiophene

C12H16S — CID 83929427

IUPAC2-ethyl-5-hex-5-yn-3-ylthiophene
SMILESC#CCC(CC)c1ccc(CC)s1
InChIInChI=1S/C12H16S/c1-4-7-10(5-2)12-9-8-11(6-3)13-12/h1,8-10H,5-7H2,2-3H3
InChIKeyFLCUOOSWVDCBQO-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.83
Rot. Bonds4

About 2-ethyl-5-hex-5-yn-3-ylthiophene

2-ethyl-5-hex-5-yn-3-ylthiophene (PubChem CID 83929427) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 2-ethyl-5-hex-5-yn-3-ylthiophene.

Molecular Properties

Compound Name2-ethyl-5-hex-5-yn-3-ylthiophene
PubChem CID83929427
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name2-ethyl-5-hex-5-yn-3-ylthiophene
SMILESC#CCC(CC)c1ccc(CC)s1
InChIInChI=1S/C12H16S/c1-4-7-10(5-2)12-9-8-11(6-3)13-12/h1,8-10H,5-7H2,2-3H3
InChIKeyFLCUOOSWVDCBQO-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.83
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-hex-5-yn-3-yl-5-methylthiophene
CID 83929307
2-bromo-5-hex-5-yn-3-ylthiophene
CID 83935010
4-(5-ethylthiophen-2-yl)hexane-1,2-diol
CID 83929463
(3R)-3-amino-3-(5-ethylthiophen-2-yl)propanenitrile
CID 55277378
(3S)-3-amino-3-(5-ethylthiophen-2-yl)propanenitrile
CID 131198390
2,5-diethylthiophene
CID 521294
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
3-(5-ethylthiophen-2-yl)butan-2-ol
CID 66436532
N'-[(5-ethylthiophen-2-yl)methyl]-N-prop-2-ynylethane-1,2-diamine
CID 106012225
2-(1-chloro-2,2-dimethylpropyl)-5-ethylthiophene
CID 63430858
1,3-dichloro-2-hex-5-yn-3-ylbenzene
CID 83924954
2-benzhydryl-5-ethylthiophene
CID 177490577

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-hex-5-yn-3-ylthiophene?
The IUPAC name of 2-ethyl-5-hex-5-yn-3-ylthiophene (CID 83929427) is 2-ethyl-5-hex-5-yn-3-ylthiophene.
What is the SMILES notation for 2-ethyl-5-hex-5-yn-3-ylthiophene?
The canonical SMILES for 2-ethyl-5-hex-5-yn-3-ylthiophene is C#CCC(CC)c1ccc(CC)s1.
What is the InChIKey of 2-ethyl-5-hex-5-yn-3-ylthiophene?
The InChIKey is FLCUOOSWVDCBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-4-7-10(5-2)12-9-8-11(6-3)13-12/h1,8-10H,5-7H2,2-3H3.
What are the key properties of 2-ethyl-5-hex-5-yn-3-ylthiophene?
2-ethyl-5-hex-5-yn-3-ylthiophene has a molecular weight of 192.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-hex-5-yn-3-ylthiophene is sourced from PubChem (CID 83929427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).