2-hex-5-yn-3-ylthiophene

C10H12S — CID 83934801

IUPAC2-hex-5-yn-3-ylthiophene
SMILESC#CCC(CC)c1cccs1
InChIInChI=1S/C10H12S/c1-3-6-9(4-2)10-7-5-8-11-10/h1,5,7-9H,4,6H2,2H3
InChIKeyVDMOFKRKGFMAHV-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.27
Rot. Bonds3

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

2-hex-5-yn-3-ylthiophene (PubChem CID 83934801) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 2-hex-5-yn-3-ylthiophene.

Molecular Properties

Compound Name2-hex-5-yn-3-ylthiophene
PubChem CID83934801
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name2-hex-5-yn-3-ylthiophene
SMILESC#CCC(CC)c1cccs1
InChIInChI=1S/C10H12S/c1-3-6-9(4-2)10-7-5-8-11-10/h1,5,7-9H,4,6H2,2H3
InChIKeyVDMOFKRKGFMAHV-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.27
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-pent-4-yn-2-ylthiophene
CID 83934777
2-hex-5-yn-3-yl-5-methylthiophene
CID 83929307
2-bromo-5-hex-5-yn-3-ylthiophene
CID 83935010
2-ethyl-5-hex-5-yn-3-ylthiophene
CID 83929427
but-1-yne;2-thiophen-2-ylthiophene
CID 174755152
2-(1-ethoxybutan-2-yl)thiophene
CID 91415896
3-thiophen-2-ylpentanal
CID 83827070
1,3-dichloro-2-hex-5-yn-3-ylbenzene
CID 83924954
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685
2-[(1R)-1-iodopropyl]thiophene
CID 142234064
2-tetradecan-7-ylthiophene
CID 137450901
(2S)-2-thiophen-2-ylpentan-1-amine
CID 54559295

Frequently Asked Questions

What is the IUPAC name of 2-hex-5-yn-3-ylthiophene?
The IUPAC name of 2-hex-5-yn-3-ylthiophene (CID 83934801) is 2-hex-5-yn-3-ylthiophene.
What is the SMILES notation for 2-hex-5-yn-3-ylthiophene?
The canonical SMILES for 2-hex-5-yn-3-ylthiophene is C#CCC(CC)c1cccs1.
What is the InChIKey of 2-hex-5-yn-3-ylthiophene?
The InChIKey is VDMOFKRKGFMAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-3-6-9(4-2)10-7-5-8-11-10/h1,5,7-9H,4,6H2,2H3.
What are the key properties of 2-hex-5-yn-3-ylthiophene?
2-hex-5-yn-3-ylthiophene has a molecular weight of 164.27 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-yn-3-ylthiophene is sourced from PubChem (CID 83934801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).