2-(4-ethylhexoxy)thiophene

C12H20OS — CID 175479454

IUPAC2-(4-ethylhexoxy)thiophene
SMILESCCC(CC)CCCOc1cccs1
InChIInChI=1S/C12H20OS/c1-3-11(4-2)7-5-9-13-12-8-6-10-14-12/h6,8,10-11H,3-5,7,9H2,1-2H3
InChIKeyUMWTYOQADBOKFD-UHFFFAOYSA-N
MW212.36 g/mol
LogP4.34
Rot. Bonds7

About 2-(4-ethylhexoxy)thiophene

2-(4-ethylhexoxy)thiophene (PubChem CID 175479454) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-(4-ethylhexoxy)thiophene.

Molecular Properties

Compound Name2-(4-ethylhexoxy)thiophene
PubChem CID175479454
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name2-(4-ethylhexoxy)thiophene
SMILESCCC(CC)CCCOc1cccs1
InChIInChI=1S/C12H20OS/c1-3-11(4-2)7-5-9-13-12-8-6-10-14-12/h6,8,10-11H,3-5,7,9H2,1-2H3
InChIKeyUMWTYOQADBOKFD-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-ethylhexoxy)thiophene with MolForge

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

Launch Full Analysis

Related Compounds

2-octoxythiophene
CID 66725658
2-hexoxythiophene
CID 14473225
4-thiophen-2-yloxybutan-1-amine
CID 83807030
prop-1-en-2-olate;2-propoxythiophene
CID 22763205
2-pent-3-enoxythiophene
CID 175415883
1-bromo-2-(4-ethylhexoxy)benzene
CID 141091967
11-thiophen-2-yloxyundecanoic acid
CID 69270363
2-ethyl-N-(2-methoxyethyl)-5-phenoxypentan-1-amine
CID 62936301
[4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium
CID 19880661
3-thiophen-2-yloxypropane-1,2-diol
CID 13088133
2-ethyl-N-(2-methylpropyl)-5-phenoxypentan-1-amine
CID 62936468
4,8-bis(2-ethylhexoxy)-2-thiophen-2-ylthieno[2,3-f][1]benzothiole
CID 132551962

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylhexoxy)thiophene?
The IUPAC name of 2-(4-ethylhexoxy)thiophene (CID 175479454) is 2-(4-ethylhexoxy)thiophene.
What is the SMILES notation for 2-(4-ethylhexoxy)thiophene?
The canonical SMILES for 2-(4-ethylhexoxy)thiophene is CCC(CC)CCCOc1cccs1.
What is the InChIKey of 2-(4-ethylhexoxy)thiophene?
The InChIKey is UMWTYOQADBOKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-3-11(4-2)7-5-9-13-12-8-6-10-14-12/h6,8,10-11H,3-5,7,9H2,1-2H3.
What are the key properties of 2-(4-ethylhexoxy)thiophene?
2-(4-ethylhexoxy)thiophene has a molecular weight of 212.36 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylhexoxy)thiophene is sourced from PubChem (CID 175479454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).