1-thiophen-2-ylhexan-1-one

C10H14OS — CID 520264

IUPAC1-thiophen-2-ylhexan-1-one
SMILESCCCCCC(=O)c1cccs1
InChIInChI=1S/C10H14OS/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3
InChIKeyCVDZQNUYYOLFOO-UHFFFAOYSA-N
MW182.29 g/mol
LogP3.51
Rot. Bonds5

About 1-thiophen-2-ylhexan-1-one

1-thiophen-2-ylhexan-1-one (PubChem CID 520264) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-thiophen-2-ylhexan-1-one.

Molecular Properties

Compound Name1-thiophen-2-ylhexan-1-one
PubChem CID520264
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name1-thiophen-2-ylhexan-1-one
SMILESCCCCCC(=O)c1cccs1
InChIInChI=1S/C10H14OS/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3
InChIKeyCVDZQNUYYOLFOO-UHFFFAOYSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-thiophen-2-ylhexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylhexan-1-one?
The IUPAC name of 1-thiophen-2-ylhexan-1-one (CID 520264) is 1-thiophen-2-ylhexan-1-one.
What is the SMILES notation for 1-thiophen-2-ylhexan-1-one?
The canonical SMILES for 1-thiophen-2-ylhexan-1-one is CCCCCC(=O)c1cccs1.
What is the InChIKey of 1-thiophen-2-ylhexan-1-one?
The InChIKey is CVDZQNUYYOLFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-2-3-4-6-9(11)10-7-5-8-12-10/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 1-thiophen-2-ylhexan-1-one?
1-thiophen-2-ylhexan-1-one has a molecular weight of 182.29 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylhexan-1-one is sourced from PubChem (CID 520264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).