4-ethyl-1-thiophen-2-yloct-1-yn-3-ol

C14H20OS — CID 146003764

IUPAC4-ethyl-1-thiophen-2-yloct-1-yn-3-ol
SMILESCCCCC(CC)C(O)C#Cc1cccs1
InChIInChI=1S/C14H20OS/c1-3-5-7-12(4-2)14(15)10-9-13-8-6-11-16-13/h6,8,11-12,14-15H,3-5,7H2,1-2H3
InChIKeyQLJQUKXEEQZZEX-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.68
Rot. Bonds5

About 4-ethyl-1-thiophen-2-yloct-1-yn-3-ol

4-ethyl-1-thiophen-2-yloct-1-yn-3-ol (PubChem CID 146003764) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 4-ethyl-1-thiophen-2-yloct-1-yn-3-ol.

Molecular Properties

Compound Name4-ethyl-1-thiophen-2-yloct-1-yn-3-ol
PubChem CID146003764
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name4-ethyl-1-thiophen-2-yloct-1-yn-3-ol
SMILESCCCCC(CC)C(O)C#Cc1cccs1
InChIInChI=1S/C14H20OS/c1-3-5-7-12(4-2)14(15)10-9-13-8-6-11-16-13/h6,8,11-12,14-15H,3-5,7H2,1-2H3
InChIKeyQLJQUKXEEQZZEX-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-thiophen-2-yloct-1-yn-3-ol?
The IUPAC name of 4-ethyl-1-thiophen-2-yloct-1-yn-3-ol (CID 146003764) is 4-ethyl-1-thiophen-2-yloct-1-yn-3-ol.
What is the SMILES notation for 4-ethyl-1-thiophen-2-yloct-1-yn-3-ol?
The canonical SMILES for 4-ethyl-1-thiophen-2-yloct-1-yn-3-ol is CCCCC(CC)C(O)C#Cc1cccs1.
What is the InChIKey of 4-ethyl-1-thiophen-2-yloct-1-yn-3-ol?
The InChIKey is QLJQUKXEEQZZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-3-5-7-12(4-2)14(15)10-9-13-8-6-11-16-13/h6,8,11-12,14-15H,3-5,7H2,1-2H3.
What are the key properties of 4-ethyl-1-thiophen-2-yloct-1-yn-3-ol?
4-ethyl-1-thiophen-2-yloct-1-yn-3-ol has a molecular weight of 236.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-thiophen-2-yloct-1-yn-3-ol is sourced from PubChem (CID 146003764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).