4-ethyl-2-pentylthiophene

C11H18S — CID 10976132

IUPAC4-ethyl-2-pentylthiophene
SMILESCCCCCc1cc(CC)cs1
InChIInChI=1S/C11H18S/c1-3-5-6-7-11-8-10(4-2)9-12-11/h8-9H,3-7H2,1-2H3
InChIKeyDESHXNOSFQFLOA-UHFFFAOYSA-N
MW182.33 g/mol
LogP4.04
Rot. Bonds5

About 4-ethyl-2-pentylthiophene

4-ethyl-2-pentylthiophene (PubChem CID 10976132) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 4-ethyl-2-pentylthiophene.

Molecular Properties

Compound Name4-ethyl-2-pentylthiophene
PubChem CID10976132
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name4-ethyl-2-pentylthiophene
SMILESCCCCCc1cc(CC)cs1
InChIInChI=1S/C11H18S/c1-3-5-6-7-11-8-10(4-2)9-12-11/h8-9H,3-7H2,1-2H3
InChIKeyDESHXNOSFQFLOA-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 54.04
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

(5-hexylthiophen-3-yl)methanethiol
CID 141382772
4-methyl-2-pentylthiophene
CID 138747732
N-[(5-butylthiophen-3-yl)methyl]ethanamine
CID 114748838
tributyl-(5-pentylthiophen-3-yl)stannane
CID 172559357
(4-ethylthiophen-2-yl)methanol
CID 23261287
4-nonyl-2-(4-nonylthiophen-2-yl)thiophene
CID 139119009
4-ethyl-2-(methoxymethyl)thiophene
CID 145483599
N-[(5-butylthiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 114749206
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
5-butylthiophene-3-carbaldehyde
CID 91750489
5-butylthiophene-3-carbonitrile
CID 174913029
5,9-bis(5-hexylthiophen-3-yl)-4,7,10-trithiatricyclo[6.3.0.02,6]undeca-1(11),2,5,8-tetraene
CID 145051385

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-pentylthiophene?
The IUPAC name of 4-ethyl-2-pentylthiophene (CID 10976132) is 4-ethyl-2-pentylthiophene.
What is the SMILES notation for 4-ethyl-2-pentylthiophene?
The canonical SMILES for 4-ethyl-2-pentylthiophene is CCCCCc1cc(CC)cs1.
What is the InChIKey of 4-ethyl-2-pentylthiophene?
The InChIKey is DESHXNOSFQFLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-3-5-6-7-11-8-10(4-2)9-12-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-2-pentylthiophene?
4-ethyl-2-pentylthiophene has a molecular weight of 182.33 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-pentylthiophene is sourced from PubChem (CID 10976132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).