3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene

C33H52S — CID 123295614

IUPAC3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene
SMILESCC(=CCCC(C)=CCCC(C)=CCCc1ccsc1)CCC=C(C)CCC=C(C)CC(C)C
InChIInChI=1S/C33H52S/c1-27(2)25-32(7)21-11-19-30(5)17-9-15-28(3)13-8-14-29(4)16-10-18-31(6)20-12-22-33-23-24-34-26-33/h13,16-17,20-21,23-24,26-27H,8-12,14-15,18-19,22,25H2,1-7H3
InChIKeyJTWGEOQIABTQON-UHFFFAOYSA-N
MW480.85 g/mol
LogP11.58
Rot. Bonds17

About 3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene

3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene (PubChem CID 123295614) has the molecular formula C33H52S and a molecular weight of 480.85 g/mol. Its IUPAC name is 3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene.

Molecular Properties

Compound Name3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene
PubChem CID123295614
Molecular FormulaC33H52S
Molecular Weight480.85 g/mol
Exact Mass480.38
IUPAC Name3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene
SMILESCC(=CCCC(C)=CCCC(C)=CCCc1ccsc1)CCC=C(C)CCC=C(C)CC(C)C
InChIInChI=1S/C33H52S/c1-27(2)25-32(7)21-11-19-30(5)17-9-15-28(3)13-8-14-29(4)16-10-18-31(6)20-12-22-33-23-24-34-26-33/h13,16-17,20-21,23-24,26-27H,8-12,14-15,18-19,22,25H2,1-7H3
InChIKeyJTWGEOQIABTQON-UHFFFAOYSA-N
XLogP11.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.85
LogP ≤ 511.58
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)-4,8,12,16,20-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-[(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)-4-ethyl-8,12,16-trimethylheptadeca-3,7,11,15-tetraenyl]thiophene
CID 89431402
3-(4-methoxypent-3-enyl)thiophene
CID 163190308
6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine
CID 115708370
4-methyl-1-thiophen-3-ylheptan-3-one
CID 114972135
3-methyl-N-[4-(3-thiophen-3-ylpropanoylamino)phenyl]butanamide
CID 33034707
2-methyl-4-thiophen-3-ylbutanal
CID 64664525
5-methyl-1-thiophen-3-ylhexane-3,4-diol
CID 103456568
ethane;3-(4-methylpent-4-enyl)thiophene
CID 145466682

Frequently Asked Questions

What is the IUPAC name of 3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene?
The IUPAC name of 3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene (CID 123295614) is 3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene.
What is the SMILES notation for 3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene?
The canonical SMILES for 3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene is CC(=CCCC(C)=CCCC(C)=CCCc1ccsc1)CCC=C(C)CCC=C(C)CC(C)C.
What is the InChIKey of 3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene?
The InChIKey is JTWGEOQIABTQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52S/c1-27(2)25-32(7)21-11-19-30(5)17-9-15-28(3)13-8-14-29(4)16-10-18-31(6)20-12-22-33-23-24-34-26-33/h13,16-17,20-21,23-24,26-27H,8-12,14-15,18-19,22,25H2,1-7H3.
What are the key properties of 3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene?
3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene has a molecular weight of 480.85 g/mol, XLogP of 11.58, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19-pentaenyl)thiophene is sourced from PubChem (CID 123295614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).