2-(2-butyloctyl)thiophene

C16H28S — CID 66609412

IUPAC2-(2-butyloctyl)thiophene
SMILESCCCCCCC(CCCC)Cc1cccs1
InChIInChI=1S/C16H28S/c1-3-5-7-8-11-15(10-6-4-2)14-16-12-9-13-17-16/h9,12-13,15H,3-8,10-11,14H2,1-2H3
InChIKeyUWBYNTPTARLVDJ-UHFFFAOYSA-N
MW252.47 g/mol
LogP6.07
Rot. Bonds10

About 2-(2-butyloctyl)thiophene

2-(2-butyloctyl)thiophene (PubChem CID 66609412) has the molecular formula C16H28S and a molecular weight of 252.47 g/mol. Its IUPAC name is 2-(2-butyloctyl)thiophene.

Molecular Properties

Compound Name2-(2-butyloctyl)thiophene
PubChem CID66609412
Molecular FormulaC16H28S
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name2-(2-butyloctyl)thiophene
SMILESCCCCCCC(CCCC)Cc1cccs1
InChIInChI=1S/C16H28S/c1-3-5-7-8-11-15(10-6-4-2)14-16-12-9-13-17-16/h9,12-13,15H,3-8,10-11,14H2,1-2H3
InChIKeyUWBYNTPTARLVDJ-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-thiophen-2-yltridecan-2-amine
CID 65428259
N-methyl-1-thiophen-2-yltetradecan-2-amine
CID 63416157
N-(1-thiophen-2-ylpropan-2-yl)nonan-2-amine
CID 43692705
2-[2-(chloromethyl)butyl]thiophene
CID 66035000
2-heptadecan-5-ylthiophene
CID 19734009
2-(2-hexyldecyl)-5-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 132553170
2-(2-chloro-3-ethylheptyl)thiophene
CID 63519016
methane;2-undecylthiophene
CID 175504380
N-methyl-1-thiophen-2-yldodecan-3-amine
CID 115860959
2-tetradecan-7-ylthiophene
CID 137450901
4,9-bis(2-hexyldecyl)-3,10,16,19-tetrathiahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1(22),2(6),4,7(11),8,12,14,17,20-nonaene
CID 58098946
1-thiophen-2-yltetradecan-4-ylhydrazine
CID 105298385

Frequently Asked Questions

What is the IUPAC name of 2-(2-butyloctyl)thiophene?
The IUPAC name of 2-(2-butyloctyl)thiophene (CID 66609412) is 2-(2-butyloctyl)thiophene.
What is the SMILES notation for 2-(2-butyloctyl)thiophene?
The canonical SMILES for 2-(2-butyloctyl)thiophene is CCCCCCC(CCCC)Cc1cccs1.
What is the InChIKey of 2-(2-butyloctyl)thiophene?
The InChIKey is UWBYNTPTARLVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28S/c1-3-5-7-8-11-15(10-6-4-2)14-16-12-9-13-17-16/h9,12-13,15H,3-8,10-11,14H2,1-2H3.
What are the key properties of 2-(2-butyloctyl)thiophene?
2-(2-butyloctyl)thiophene has a molecular weight of 252.47 g/mol, XLogP of 6.07, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyloctyl)thiophene is sourced from PubChem (CID 66609412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).