3-oct-1-enyl-2-(3-oct-1-enylthiophen-2-yl)thiophene

C24H34S2 — CID 141188618

IUPAC3-oct-1-enyl-2-(3-oct-1-enylthiophen-2-yl)thiophene
SMILESCCCCCCC=Cc1ccsc1-c1sccc1C=CCCCCCC
InChIInChI=1S/C24H34S2/c1-3-5-7-9-11-13-15-21-17-19-25-23(21)24-22(18-20-26-24)16-14-12-10-8-6-4-2/h13-20H,3-12H2,1-2H3
InChIKeyLOHJGNDSVJIDMR-UHFFFAOYSA-N
MW386.67 g/mol
LogP9.44
Rot. Bonds13

About 3-oct-1-enyl-2-(3-oct-1-enylthiophen-2-yl)thiophene

3-oct-1-enyl-2-(3-oct-1-enylthiophen-2-yl)thiophene (PubChem CID 141188618) has the molecular formula C24H34S2 and a molecular weight of 386.67 g/mol. Its IUPAC name is 3-oct-1-enyl-2-(3-oct-1-enylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name3-oct-1-enyl-2-(3-oct-1-enylthiophen-2-yl)thiophene
PubChem CID141188618
Molecular FormulaC24H34S2
Molecular Weight386.67 g/mol
Exact Mass386.21
IUPAC Name3-oct-1-enyl-2-(3-oct-1-enylthiophen-2-yl)thiophene
SMILESCCCCCCC=Cc1ccsc1-c1sccc1C=CCCCCCC
InChIInChI=1S/C24H34S2/c1-3-5-7-9-11-13-15-21-17-19-25-23(21)24-22(18-20-26-24)16-14-12-10-8-6-4-2/h13-20H,3-12H2,1-2H3
InChIKeyLOHJGNDSVJIDMR-UHFFFAOYSA-N
XLogP9.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.67
LogP ≤ 59.44
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

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1-methyl-2-[(E)-oct-1-enyl]benzene
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1,4-dibromo-2,5-bis(dodec-1-enyl)benzene
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CID 173045984
methyl 3-hex-1-enylthiophene-2-carboxylate
CID 141160515
1-[(E)-hept-1-enyl]-2-methylbenzene
CID 12013068
1-[(E)-dec-1-enyl]naphthalene
CID 11807631
1-[(E)-tetradec-1-enyl]naphthalene
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3-dec-1-enylbenzene-1,2-diol
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CID 173177156

Frequently Asked Questions

What is the IUPAC name of 3-oct-1-enyl-2-(3-oct-1-enylthiophen-2-yl)thiophene?
The IUPAC name of 3-oct-1-enyl-2-(3-oct-1-enylthiophen-2-yl)thiophene (CID 141188618) is 3-oct-1-enyl-2-(3-oct-1-enylthiophen-2-yl)thiophene.
What is the SMILES notation for 3-oct-1-enyl-2-(3-oct-1-enylthiophen-2-yl)thiophene?
The canonical SMILES for 3-oct-1-enyl-2-(3-oct-1-enylthiophen-2-yl)thiophene is CCCCCCC=Cc1ccsc1-c1sccc1C=CCCCCCC.
What is the InChIKey of 3-oct-1-enyl-2-(3-oct-1-enylthiophen-2-yl)thiophene?
The InChIKey is LOHJGNDSVJIDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34S2/c1-3-5-7-9-11-13-15-21-17-19-25-23(21)24-22(18-20-26-24)16-14-12-10-8-6-4-2/h13-20H,3-12H2,1-2H3.
What are the key properties of 3-oct-1-enyl-2-(3-oct-1-enylthiophen-2-yl)thiophene?
3-oct-1-enyl-2-(3-oct-1-enylthiophen-2-yl)thiophene has a molecular weight of 386.67 g/mol, XLogP of 9.44, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oct-1-enyl-2-(3-oct-1-enylthiophen-2-yl)thiophene is sourced from PubChem (CID 141188618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).