3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene

C26H40S — CID 89431402

IUPAC3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene
SMILESCC/C(=C\CCc1ccsc1)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C26H40S/c1-6-25(17-10-18-26-19-20-27-21-26)16-9-15-24(5)14-8-13-23(4)12-7-11-22(2)3/h11,13,15,17,19-21H,6-10,12,14,16,18H2,1-5H3/b23-13+,24-15+,25-17+
InChIKeyVQRGKSUWYPVYRW-HBKYZHKXSA-N
MW384.67 g/mol
LogP9.22
Rot. Bonds13

About 3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene

3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene (PubChem CID 89431402) has the molecular formula C26H40S and a molecular weight of 384.67 g/mol. Its IUPAC name is 3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene.

Molecular Properties

Compound Name3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene
PubChem CID89431402
Molecular FormulaC26H40S
Molecular Weight384.67 g/mol
Exact Mass384.29
IUPAC Name3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene
SMILESCC/C(=C\CCc1ccsc1)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C26H40S/c1-6-25(17-10-18-26-19-20-27-21-26)16-9-15-24(5)14-8-13-23(4)12-7-11-22(2)3/h11,13,15,17,19-21H,6-10,12,14,16,18H2,1-5H3/b23-13+,24-15+,25-17+
InChIKeyVQRGKSUWYPVYRW-HBKYZHKXSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.67
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene with MolForge

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Related Compounds

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-tetraenyl]thiophene
CID 89431390
3-(4,8,12,16-tetramethylicosa-3,7,11,15-tetraenyl)thiophene
CID 123768255
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-(4-methoxypent-3-enyl)thiophene
CID 163190308
(6E,10E)-10-ethyl-2,6-dimethyldodeca-2,6,10-triene
CID 169000868
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782

Frequently Asked Questions

What is the IUPAC name of 3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene?
The IUPAC name of 3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene (CID 89431402) is 3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene.
What is the SMILES notation for 3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene?
The canonical SMILES for 3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene is CC/C(=C\CCc1ccsc1)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of 3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene?
The InChIKey is VQRGKSUWYPVYRW-HBKYZHKXSA-N. The full InChI is InChI=1S/C26H40S/c1-6-25(17-10-18-26-19-20-27-21-26)16-9-15-24(5)14-8-13-23(4)12-7-11-22(2)3/h11,13,15,17,19-21H,6-10,12,14,16,18H2,1-5H3/b23-13+,24-15+,25-17+.
What are the key properties of 3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene?
3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene has a molecular weight of 384.67 g/mol, XLogP of 9.22, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,7E,11E)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene is sourced from PubChem (CID 89431402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).