2-octoxythiophene

C12H20OS — CID 66725658

IUPAC2-octoxythiophene
SMILESCCCCCCCCOc1cccs1
InChIInChI=1S/C12H20OS/c1-2-3-4-5-6-7-10-13-12-9-8-11-14-12/h8-9,11H,2-7,10H2,1H3
InChIKeyFAUKNZUKFJWKSG-UHFFFAOYSA-N
MW212.36 g/mol
LogP4.49
Rot. Bonds8

About 2-octoxythiophene

2-octoxythiophene (PubChem CID 66725658) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-octoxythiophene.

Molecular Properties

Compound Name2-octoxythiophene
PubChem CID66725658
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name2-octoxythiophene
SMILESCCCCCCCCOc1cccs1
InChIInChI=1S/C12H20OS/c1-2-3-4-5-6-7-10-13-12-9-8-11-14-12/h8-9,11H,2-7,10H2,1H3
InChIKeyFAUKNZUKFJWKSG-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hexoxythiophene
CID 14473225
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-octoxythiophene?
The IUPAC name of 2-octoxythiophene (CID 66725658) is 2-octoxythiophene.
What is the SMILES notation for 2-octoxythiophene?
The canonical SMILES for 2-octoxythiophene is CCCCCCCCOc1cccs1.
What is the InChIKey of 2-octoxythiophene?
The InChIKey is FAUKNZUKFJWKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-2-3-4-5-6-7-10-13-12-9-8-11-14-12/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 2-octoxythiophene?
2-octoxythiophene has a molecular weight of 212.36 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octoxythiophene is sourced from PubChem (CID 66725658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).