2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene

C30H46S — CID 123540837

IUPAC2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCc1cccs1
InChIInChI=1S/C30H46S/c1-25(2)13-7-14-26(3)15-8-16-27(4)17-9-18-28(5)19-10-20-29(6)21-11-22-30-23-12-24-31-30/h12-13,15,17,19,21,23-24H,7-11,14,16,18,20,22H2,1-6H3
InChIKeyHIFYIEUITMUSQQ-UHFFFAOYSA-N
MW438.77 g/mol
LogP10.55
Rot. Bonds15

About 2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene

2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene (PubChem CID 123540837) has the molecular formula C30H46S and a molecular weight of 438.77 g/mol. Its IUPAC name is 2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene.

Molecular Properties

Compound Name2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene
PubChem CID123540837
Molecular FormulaC30H46S
Molecular Weight438.77 g/mol
Exact Mass438.33
IUPAC Name2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCc1cccs1
InChIInChI=1S/C30H46S/c1-25(2)13-7-14-26(3)15-8-16-27(4)17-9-18-28(5)19-10-20-29(6)21-11-22-30-23-12-24-31-30/h12-13,15,17,19,21,23-24H,7-11,14,16,18,20,22H2,1-6H3
InChIKeyHIFYIEUITMUSQQ-UHFFFAOYSA-N
XLogP10.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.77
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-methyl-6-thiophen-2-ylhex-3-en-1-amine
CID 79598190
(4S,5S,6S)-2-methoxy-6-methyl-3-[methyl(thiophen-2-ylmethyl)amino]-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-ene-1,4-diol
CID 130357976
3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
CID 5316534
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(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
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
2-(5-chloro-2-methylpent-2-enyl)thiophene
CID 79591993
1-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]benzene
CID 15545601
(2R)-4-(4,8-dimethylnona-3,7-dienyl)-2-hydroxy-2H-furan-5-one
CID 162932378
3-methyl-N-(thiophen-2-ylmethyl)but-2-en-1-amine
CID 54396811
2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
CID 54371000

Frequently Asked Questions

What is the IUPAC name of 2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene?
The IUPAC name of 2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene (CID 123540837) is 2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene.
What is the SMILES notation for 2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene?
The canonical SMILES for 2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCc1cccs1.
What is the InChIKey of 2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene?
The InChIKey is HIFYIEUITMUSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46S/c1-25(2)13-7-14-26(3)15-8-16-27(4)17-9-18-28(5)19-10-20-29(6)21-11-22-30-23-12-24-31-30/h12-13,15,17,19,21,23-24H,7-11,14,16,18,20,22H2,1-6H3.
What are the key properties of 2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene?
2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene has a molecular weight of 438.77 g/mol, XLogP of 10.55, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)thiophene is sourced from PubChem (CID 123540837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).