2-thiophen-2-ylhex-5-yn-2-ol

C10H12OS — CID 63656687

IUPAC2-thiophen-2-ylhex-5-yn-2-ol
SMILESC#CCCC(C)(O)c1cccs1
InChIInChI=1S/C10H12OS/c1-3-4-7-10(2,11)9-6-5-8-12-9/h1,5-6,8,11H,4,7H2,2H3
InChIKeyHHWMLKIZXFVSDB-UHFFFAOYSA-N
MW180.27 g/mol
LogP2.37
Rot. Bonds3

About 2-thiophen-2-ylhex-5-yn-2-ol

2-thiophen-2-ylhex-5-yn-2-ol (PubChem CID 63656687) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-thiophen-2-ylhex-5-yn-2-ol.

Molecular Properties

Compound Name2-thiophen-2-ylhex-5-yn-2-ol
PubChem CID63656687
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name2-thiophen-2-ylhex-5-yn-2-ol
SMILESC#CCCC(C)(O)c1cccs1
InChIInChI=1S/C10H12OS/c1-3-4-7-10(2,11)9-6-5-8-12-9/h1,5-6,8,11H,4,7H2,2H3
InChIKeyHHWMLKIZXFVSDB-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-ynyl-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526663
2,5-dimethyl-5-thiophen-2-ylhexan-2-ol
CID 18466748
4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol
CID 66001498
(1S)-1-amino-1-thiophen-2-ylbutan-1-ol
CID 67452361
1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 63220221
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol
CID 10659099
1-hydroxy-1,1-dithiophen-2-ylpropan-2-one
CID 23553455
2-(2-bromopropan-2-yl)thiophene
CID 174915633
1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol
CID 112501508
N-(2-hydroxy-2-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 71782464

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylhex-5-yn-2-ol?
The IUPAC name of 2-thiophen-2-ylhex-5-yn-2-ol (CID 63656687) is 2-thiophen-2-ylhex-5-yn-2-ol.
What is the SMILES notation for 2-thiophen-2-ylhex-5-yn-2-ol?
The canonical SMILES for 2-thiophen-2-ylhex-5-yn-2-ol is C#CCCC(C)(O)c1cccs1.
What is the InChIKey of 2-thiophen-2-ylhex-5-yn-2-ol?
The InChIKey is HHWMLKIZXFVSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS/c1-3-4-7-10(2,11)9-6-5-8-12-9/h1,5-6,8,11H,4,7H2,2H3.
What are the key properties of 2-thiophen-2-ylhex-5-yn-2-ol?
2-thiophen-2-ylhex-5-yn-2-ol has a molecular weight of 180.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylhex-5-yn-2-ol is sourced from PubChem (CID 63656687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).