3-(2-hexyldecyl)thiophene

C20H36S — CID 67456553

IUPAC3-(2-hexyldecyl)thiophene
SMILESCCCCCCCCC(CCCCCC)Cc1ccsc1
InChIInChI=1S/C20H36S/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)17-20-15-16-21-18-20/h15-16,18-19H,3-14,17H2,1-2H3
InChIKeyHDFZTBJTNXTFAS-UHFFFAOYSA-N
MW308.58 g/mol
LogP7.63
Rot. Bonds14

About 3-(2-hexyldecyl)thiophene

3-(2-hexyldecyl)thiophene (PubChem CID 67456553) has the molecular formula C20H36S and a molecular weight of 308.58 g/mol. Its IUPAC name is 3-(2-hexyldecyl)thiophene.

Molecular Properties

Compound Name3-(2-hexyldecyl)thiophene
PubChem CID67456553
Molecular FormulaC20H36S
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name3-(2-hexyldecyl)thiophene
SMILESCCCCCCCCC(CCCCCC)Cc1ccsc1
InChIInChI=1S/C20H36S/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)17-20-15-16-21-18-20/h15-16,18-19H,3-14,17H2,1-2H3
InChIKeyHDFZTBJTNXTFAS-UHFFFAOYSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 57.63
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-3-ylundecan-2-amine
CID 65427688
1-thiophen-3-ylheptan-2-amine
CID 61077742
1-thiophen-3-yltetradecan-2-ol
CID 105090220
3-(2-bromotridecyl)thiophene
CID 65428156
3-(2-bromoicosyl)thiophene
CID 89438780
3-(2,3-dimethyloctyl)thiophene
CID 22501098
3-[2-(chloromethyl)pentyl]thiophene
CID 66036116
N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine
CID 61473529
3-(2-ethylbutyl)thiophene
CID 89133993
1-thiophen-3-ylnonan-3-amine
CID 115857036
3-heptylthiophene;3-hexylthiophene
CID 159152668
4-(2-butyltetradecyl)phenol
CID 70630098

Frequently Asked Questions

What is the IUPAC name of 3-(2-hexyldecyl)thiophene?
The IUPAC name of 3-(2-hexyldecyl)thiophene (CID 67456553) is 3-(2-hexyldecyl)thiophene.
What is the SMILES notation for 3-(2-hexyldecyl)thiophene?
The canonical SMILES for 3-(2-hexyldecyl)thiophene is CCCCCCCCC(CCCCCC)Cc1ccsc1.
What is the InChIKey of 3-(2-hexyldecyl)thiophene?
The InChIKey is HDFZTBJTNXTFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36S/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)17-20-15-16-21-18-20/h15-16,18-19H,3-14,17H2,1-2H3.
What are the key properties of 3-(2-hexyldecyl)thiophene?
3-(2-hexyldecyl)thiophene has a molecular weight of 308.58 g/mol, XLogP of 7.63, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hexyldecyl)thiophene is sourced from PubChem (CID 67456553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).