2-hexoxythiophene

C10H16OS — CID 14473225

IUPAC2-hexoxythiophene
SMILESCCCCCCOc1cccs1
InChIInChI=1S/C10H16OS/c1-2-3-4-5-8-11-10-7-6-9-12-10/h6-7,9H,2-5,8H2,1H3
InChIKeyUTLZCUPHHPZCBE-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.71
Rot. Bonds6

About 2-hexoxythiophene

2-hexoxythiophene (PubChem CID 14473225) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2-hexoxythiophene.

Molecular Properties

Compound Name2-hexoxythiophene
PubChem CID14473225
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2-hexoxythiophene
SMILESCCCCCCOc1cccs1
InChIInChI=1S/C10H16OS/c1-2-3-4-5-8-11-10-7-6-9-12-10/h6-7,9H,2-5,8H2,1H3
InChIKeyUTLZCUPHHPZCBE-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hexoxythiophene 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
4-thiophen-2-yloxybutan-1-amine
CID 83807030
2-(4-ethylhexoxy)thiophene
CID 175479454
prop-1-en-2-olate;2-propoxythiophene
CID 22763205
11-thiophen-2-yloxyundecanoic acid
CID 69270363
2-(hexoxymethyl)thiophene
CID 57182867
2-(2,6-dioctoxyphenyl)thiophene
CID 129070444
2-(5-pentoxypentyl)thiophene
CID 91586139
heptyl thiophene-2-carboxylate
CID 574115
5,6-didodecoxy-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole
CID 102306399
2-methyl-3-octadecoxythiophene
CID 91356993
2-bromo-5-dodecoxythiophene
CID 151403280

Frequently Asked Questions

What is the IUPAC name of 2-hexoxythiophene?
The IUPAC name of 2-hexoxythiophene (CID 14473225) is 2-hexoxythiophene.
What is the SMILES notation for 2-hexoxythiophene?
The canonical SMILES for 2-hexoxythiophene is CCCCCCOc1cccs1.
What is the InChIKey of 2-hexoxythiophene?
The InChIKey is UTLZCUPHHPZCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-2-3-4-5-8-11-10-7-6-9-12-10/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 2-hexoxythiophene?
2-hexoxythiophene has a molecular weight of 184.30 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxythiophene is sourced from PubChem (CID 14473225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).