2-(3-ethynylpent-4-enyl)thiophene

C11H12S — CID 173422123

IUPAC2-(3-ethynylpent-4-enyl)thiophene
SMILESC#CC(C=C)CCc1cccs1
InChIInChI=1S/C11H12S/c1-3-10(4-2)7-8-11-6-5-9-12-11/h1,4-6,9-10H,2,7-8H2
InChIKeyGWXUFMKWWBOVMO-UHFFFAOYSA-N
MW176.28 g/mol
LogP3.12
Rot. Bonds4

About 2-(3-ethynylpent-4-enyl)thiophene

2-(3-ethynylpent-4-enyl)thiophene (PubChem CID 173422123) has the molecular formula C11H12S and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-(3-ethynylpent-4-enyl)thiophene.

Molecular Properties

Compound Name2-(3-ethynylpent-4-enyl)thiophene
PubChem CID173422123
Molecular FormulaC11H12S
Molecular Weight176.28 g/mol
Exact Mass176.07
IUPAC Name2-(3-ethynylpent-4-enyl)thiophene
SMILESC#CC(C=C)CCc1cccs1
InChIInChI=1S/C11H12S/c1-3-10(4-2)7-8-11-6-5-9-12-11/h1,4-6,9-10H,2,7-8H2
InChIKeyGWXUFMKWWBOVMO-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-thiophen-2-ylhex-1-en-3-amine
CID 105161209
2-(6-ethenyloct-7-enyl)thiophene
CID 68786861
CID 59269201
CID 59269201
dimethyl 2-[(3R)-5-thiophen-2-ylpent-1-en-3-yl]propanedioate
CID 155933734
1-thiophen-2-yloct-7-yn-4-ol
CID 105098636
7-thiophen-2-ylhept-1-en-4-ol
CID 105081719
(2S)-1-thiophen-2-ylbut-3-yn-2-amine
CID 118184484
2-(2-methylbut-3-ynyl)thiophene
CID 83934797
potassium trifluoro(2-thiophen-2-ylethyl)boranuide
CID 63774872
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethynylpent-4-enyl)thiophene?
The IUPAC name of 2-(3-ethynylpent-4-enyl)thiophene (CID 173422123) is 2-(3-ethynylpent-4-enyl)thiophene.
What is the SMILES notation for 2-(3-ethynylpent-4-enyl)thiophene?
The canonical SMILES for 2-(3-ethynylpent-4-enyl)thiophene is C#CC(C=C)CCc1cccs1.
What is the InChIKey of 2-(3-ethynylpent-4-enyl)thiophene?
The InChIKey is GWXUFMKWWBOVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12S/c1-3-10(4-2)7-8-11-6-5-9-12-11/h1,4-6,9-10H,2,7-8H2.
What are the key properties of 2-(3-ethynylpent-4-enyl)thiophene?
2-(3-ethynylpent-4-enyl)thiophene has a molecular weight of 176.28 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethynylpent-4-enyl)thiophene is sourced from PubChem (CID 173422123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).