3-dodecyl-2-(3-dodecylthiophen-2-yl)thiophene

C32H54S2 — CID 15709293

IUPAC3-dodecyl-2-(3-dodecylthiophen-2-yl)thiophene
SMILESCCCCCCCCCCCCc1ccsc1-c1sccc1CCCCCCCCCCCC
InChIInChI=1S/C32H54S2/c1-3-5-7-9-11-13-15-17-19-21-23-29-25-27-33-31(29)32-30(26-28-34-32)24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3
InChIKeyDSMUOJUGCRXFHF-UHFFFAOYSA-N
MW502.92 g/mol
LogP12.40
Rot. Bonds23

About 3-dodecyl-2-(3-dodecylthiophen-2-yl)thiophene

3-dodecyl-2-(3-dodecylthiophen-2-yl)thiophene (PubChem CID 15709293) has the molecular formula C32H54S2 and a molecular weight of 502.92 g/mol. Its IUPAC name is 3-dodecyl-2-(3-dodecylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name3-dodecyl-2-(3-dodecylthiophen-2-yl)thiophene
PubChem CID15709293
Molecular FormulaC32H54S2
Molecular Weight502.92 g/mol
Exact Mass502.37
IUPAC Name3-dodecyl-2-(3-dodecylthiophen-2-yl)thiophene
SMILESCCCCCCCCCCCCc1ccsc1-c1sccc1CCCCCCCCCCCC
InChIInChI=1S/C32H54S2/c1-3-5-7-9-11-13-15-17-19-21-23-29-25-27-33-31(29)32-30(26-28-34-32)24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3
InChIKeyDSMUOJUGCRXFHF-UHFFFAOYSA-N
XLogP12.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.92
LogP ≤ 512.40
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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Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-2-(3-dodecylthiophen-2-yl)thiophene?
The IUPAC name of 3-dodecyl-2-(3-dodecylthiophen-2-yl)thiophene (CID 15709293) is 3-dodecyl-2-(3-dodecylthiophen-2-yl)thiophene.
What is the SMILES notation for 3-dodecyl-2-(3-dodecylthiophen-2-yl)thiophene?
The canonical SMILES for 3-dodecyl-2-(3-dodecylthiophen-2-yl)thiophene is CCCCCCCCCCCCc1ccsc1-c1sccc1CCCCCCCCCCCC.
What is the InChIKey of 3-dodecyl-2-(3-dodecylthiophen-2-yl)thiophene?
The InChIKey is DSMUOJUGCRXFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54S2/c1-3-5-7-9-11-13-15-17-19-21-23-29-25-27-33-31(29)32-30(26-28-34-32)24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3.
What are the key properties of 3-dodecyl-2-(3-dodecylthiophen-2-yl)thiophene?
3-dodecyl-2-(3-dodecylthiophen-2-yl)thiophene has a molecular weight of 502.92 g/mol, XLogP of 12.40, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-2-(3-dodecylthiophen-2-yl)thiophene is sourced from PubChem (CID 15709293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).