5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol

C13H8OS — CID 14262758

IUPAC5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol
SMILESC=CC#Cc1ccc(C#CC#CCO)s1
InChIInChI=1S/C13H8OS/c1-2-3-7-12-9-10-13(15-12)8-5-4-6-11-14/h2,9-10,14H,1,11H2
InChIKeyRLALQOADNWLBKM-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.63
Rot. Bonds

About 5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol

5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol (PubChem CID 14262758) has the molecular formula C13H8OS and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol.

Molecular Properties

Compound Name5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol
PubChem CID14262758
Molecular FormulaC13H8OS
Molecular Weight212.27 g/mol
Exact Mass212.03
IUPAC Name5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol
SMILESC=CC#Cc1ccc(C#CC#CCO)s1
InChIInChI=1S/C13H8OS/c1-2-3-7-12-9-10-13(15-12)8-5-4-6-11-14/h2,9-10,14H,1,11H2
InChIKeyRLALQOADNWLBKM-UHFFFAOYSA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol with MolForge

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Launch Full Analysis

Related Compounds

5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene
CID 440357
4-(5-(Penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yne-1,2-diol
CID 25014552
Thiophene A
CID 100448
2-(Penta-1,3-diynyl)-5-(4-hydroxybut-1-ynyl)-thiophene
CID 14890287
2-Methyl-4-(thiophen-2-yl)but-3-yn-2-ol
CID 4405507
1-Chloro-4-(5-(penta-1,3-diyn-1-yl)thiophen-2-yl)but-3-yn-2-ol
CID 5315834
2-(hexa-3E,5-dien-1-yn-1-yl)-5-(prop-1-yn-1-yl)thiophene
CID 14162534
Echinoynethiophene A
CID 10263246
4-[5-(5-Methyl-2-thienyl)-2-thienyl]but-3-yn-1-ol
CID 14454665
2-Buta-1,3-diynyl-5-but-3-en-1-ynylthiophene
CID 5315560
2-(But-3-en-1-ynyl)-5-(penta-1,3-diynyl)-thiophene
CID 14262770
2-(3-Buten-1-ynyl)-5-[(E)-3-penten-1-ynyl]thiophene
CID 14550074

Frequently Asked Questions

What is the IUPAC name of 5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol?
The IUPAC name of 5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol (CID 14262758) is 5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol.
What is the SMILES notation for 5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol?
The canonical SMILES for 5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol is C=CC#Cc1ccc(C#CC#CCO)s1.
What is the InChIKey of 5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol?
The InChIKey is RLALQOADNWLBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8OS/c1-2-3-7-12-9-10-13(15-12)8-5-4-6-11-14/h2,9-10,14H,1,11H2.
What are the key properties of 5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol?
5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol has a molecular weight of 212.27 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-but-3-en-1-ynylthiophen-2-yl)penta-2,4-diyn-1-ol is sourced from PubChem (CID 14262758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).