3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene

C28H42S — CID 89431360

IUPAC3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene
SMILESC=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1ccsc1
InChIInChI=1S/C28H42S/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/h6,13,15,17,19,21-23H,1,7-12,14,16,18,20H2,2-5H3/b24-13+,25-15+,26-17+,27-19+
InChIKeyDQYFNHVRQCMZBQ-DKWXWKAFSA-N
MW410.71 g/mol
LogP9.77
Rot. Bonds15

About 3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene

3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene (PubChem CID 89431360) has the molecular formula C28H42S and a molecular weight of 410.71 g/mol. Its IUPAC name is 3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene.

Molecular Properties

Compound Name3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene
PubChem CID89431360
Molecular FormulaC28H42S
Molecular Weight410.71 g/mol
Exact Mass410.30
IUPAC Name3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene
SMILESC=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1ccsc1
InChIInChI=1S/C28H42S/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/h6,13,15,17,19,21-23H,1,7-12,14,16,18,20H2,2-5H3/b24-13+,25-15+,26-17+,27-19+
InChIKeyDQYFNHVRQCMZBQ-DKWXWKAFSA-N
XLogP9.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.71
LogP ≤ 59.77
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,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]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-(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-hexadec-15-enylthiophene
CID 139794200
1-thiophen-3-ylhex-5-en-2-one
CID 105104599
N-(2-thiophen-3-ylethyl)hex-5-en-2-amine
CID 104581649
ethane;3-(4-methylpent-4-enyl)thiophene
CID 145466682
(5Z)-6-methyl-1-(thiophen-3-ylmethoxy)octa-5,7-dien-2-one
CID 143295560
N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine
CID 79607891

Frequently Asked Questions

What is the IUPAC name of 3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene?
The IUPAC name of 3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene (CID 89431360) is 3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene.
What is the SMILES notation for 3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene?
The canonical SMILES for 3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene is C=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1ccsc1.
What is the InChIKey of 3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene?
The InChIKey is DQYFNHVRQCMZBQ-DKWXWKAFSA-N. The full InChI is InChI=1S/C28H42S/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/h6,13,15,17,19,21-23H,1,7-12,14,16,18,20H2,2-5H3/b24-13+,25-15+,26-17+,27-19+.
What are the key properties of 3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene?
3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene has a molecular weight of 410.71 g/mol, XLogP of 9.77, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,7E,11E,15E)-4,8,12,16-tetramethylicosa-3,7,11,15,19-pentaenyl]thiophene is sourced from PubChem (CID 89431360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).