3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene

C28H44S — CID 123768255

IUPAC3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene
SMILESCCCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCc1ccsc1
InChIInChI=1S/C28H44S/c1-6-7-12-24(2)13-8-14-25(3)15-9-16-26(4)17-10-18-27(5)19-11-20-28-21-22-29-23-28/h13,15,17,19,21-23H,6-12,14,16,18,20H2,1-5H3
InChIKeyRLIXRMNTJCZMJD-UHFFFAOYSA-N
MW412.73 g/mol
LogP10.00
Rot. Bonds15

About 3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene

3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene (PubChem CID 123768255) has the molecular formula C28H44S and a molecular weight of 412.73 g/mol. Its IUPAC name is 3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene.

Molecular Properties

Compound Name3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene
PubChem CID123768255
Molecular FormulaC28H44S
Molecular Weight412.73 g/mol
Exact Mass412.32
IUPAC Name3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene
SMILESCCCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCc1ccsc1
InChIInChI=1S/C28H44S/c1-6-7-12-24(2)13-8-14-25(3)15-9-16-26(4)17-10-18-27(5)19-11-20-28-21-22-29-23-28/h13,15,17,19,21-23H,6-12,14,16,18,20H2,1-5H3
InChIKeyRLIXRMNTJCZMJD-UHFFFAOYSA-N
XLogP10.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.73
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl]thiophene
CID 89431390
3-[(3E,7E,11E,15E)-4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]thiophene
CID 54588649
3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene
CID 89431360
3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene
CID 123295614
3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene
CID 89431402
3-(4-methoxypent-3-enyl)thiophene
CID 163190308
3-(4,8-dimethylpentadeca-3,7-dienyl)furan
CID 74218572
3-heptylthiophene;3-hexylthiophene
CID 159152668
1-thiophen-3-yltetradecan-2-ol
CID 105090220
azane;3-propylthiophene
CID 174446539
3-heptylthiophene;oxaldehyde
CID 175169306
4-methyl-1-thiophen-3-ylheptan-3-one
CID 114972135

Frequently Asked Questions

What is the IUPAC name of 3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene?
The IUPAC name of 3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene (CID 123768255) is 3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene.
What is the SMILES notation for 3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene?
The canonical SMILES for 3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene is CCCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCc1ccsc1.
What is the InChIKey of 3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene?
The InChIKey is RLIXRMNTJCZMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44S/c1-6-7-12-24(2)13-8-14-25(3)15-9-16-26(4)17-10-18-27(5)19-11-20-28-21-22-29-23-28/h13,15,17,19,21-23H,6-12,14,16,18,20H2,1-5H3.
What are the key properties of 3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene?
3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene has a molecular weight of 412.73 g/mol, XLogP of 10.00, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene is sourced from PubChem (CID 123768255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).