3-pentyl-2-(3-pentylthiophen-2-yl)thiophene

C18H26S2 — CID 86066815

IUPAC3-pentyl-2-(3-pentylthiophen-2-yl)thiophene
SMILESCCCCCc1ccsc1-c1sccc1CCCCC
InChIInChI=1S/C18H26S2/c1-3-5-7-9-15-11-13-19-17(15)18-16(12-14-20-18)10-8-6-4-2/h11-14H,3-10H2,1-2H3
InChIKeyOGDPFTSMCHFOOF-UHFFFAOYSA-N
MW306.54 g/mol
LogP6.94
Rot. Bonds9

About 3-pentyl-2-(3-pentylthiophen-2-yl)thiophene

3-pentyl-2-(3-pentylthiophen-2-yl)thiophene (PubChem CID 86066815) has the molecular formula C18H26S2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 3-pentyl-2-(3-pentylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name3-pentyl-2-(3-pentylthiophen-2-yl)thiophene
PubChem CID86066815
Molecular FormulaC18H26S2
Molecular Weight306.54 g/mol
Exact Mass306.15
IUPAC Name3-pentyl-2-(3-pentylthiophen-2-yl)thiophene
SMILESCCCCCc1ccsc1-c1sccc1CCCCC
InChIInChI=1S/C18H26S2/c1-3-5-7-9-15-11-13-19-17(15)18-16(12-14-20-18)10-8-6-4-2/h11-14H,3-10H2,1-2H3
InChIKeyOGDPFTSMCHFOOF-UHFFFAOYSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.94
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

3,4-dimethyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 91212420
2,5-bis(3-hexylthiophen-2-yl)thiophene
CID 14916420
3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene
CID 141412615
3-hexadecyl-2-phenylthiophene
CID 101022658
2-(3-hexylthiophen-2-yl)-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 71381559
3-octyl-2,5-bis(3-octylthiophen-2-yl)thiophene
CID 101041638
4-bromo-3-hexyl-2-(3-hexylthiophen-2-yl)thiophene
CID 150204188
2-(4-bromophenyl)-3-hexylthiophene
CID 102310139
2,3-didodecylthiophene
CID 66897470
1-(3-hexylthiophen-2-yl)-3-thiophen-2-yl-2-benzothiophene
CID 10667631
2-bromo-3-icosylthiophene
CID 141267982
(3-nonylthiophen-2-yl)phosphane
CID 21095664

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-2-(3-pentylthiophen-2-yl)thiophene?
The IUPAC name of 3-pentyl-2-(3-pentylthiophen-2-yl)thiophene (CID 86066815) is 3-pentyl-2-(3-pentylthiophen-2-yl)thiophene.
What is the SMILES notation for 3-pentyl-2-(3-pentylthiophen-2-yl)thiophene?
The canonical SMILES for 3-pentyl-2-(3-pentylthiophen-2-yl)thiophene is CCCCCc1ccsc1-c1sccc1CCCCC.
What is the InChIKey of 3-pentyl-2-(3-pentylthiophen-2-yl)thiophene?
The InChIKey is OGDPFTSMCHFOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26S2/c1-3-5-7-9-15-11-13-19-17(15)18-16(12-14-20-18)10-8-6-4-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-pentyl-2-(3-pentylthiophen-2-yl)thiophene?
3-pentyl-2-(3-pentylthiophen-2-yl)thiophene has a molecular weight of 306.54 g/mol, XLogP of 6.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-2-(3-pentylthiophen-2-yl)thiophene is sourced from PubChem (CID 86066815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).