2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

C90H150 — CID 173324782

IUPAC2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C.CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C.CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/3C30H50/c3*1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h3*15-18,23-24H,9-14,19-22H2,1-8H3
InChIKeyOMAIHYNXONJRML-UHFFFAOYSA-N
MW1232.19 g/mol
LogP31.82
Rot. Bonds45

About 2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene

2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene (PubChem CID 173324782) has the molecular formula C90H150 and a molecular weight of 1232.19 g/mol. Its IUPAC name is 2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene.

Molecular Properties

Compound Name2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
PubChem CID173324782
Molecular FormulaC90H150
Molecular Weight1232.19 g/mol
Exact Mass1231.17
IUPAC Name2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C.CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C.CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/3C30H50/c3*1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h3*15-18,23-24H,9-14,19-22H2,1-8H3
InChIKeyOMAIHYNXONJRML-UHFFFAOYSA-N
XLogP31.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds45
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001232.19
LogP ≤ 531.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(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
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(6E,10Z,14E,18Z)-2,10,23-trimethyltetracosa-2,6,10,14,18,22-hexaene
CID 5326453
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438

Frequently Asked Questions

What is the IUPAC name of 2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene?
The IUPAC name of 2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene (CID 173324782) is 2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene.
What is the SMILES notation for 2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene?
The canonical SMILES for 2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene is CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C.CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C.CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene?
The InChIKey is OMAIHYNXONJRML-UHFFFAOYSA-N. The full InChI is InChI=1S/3C30H50/c3*1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h3*15-18,23-24H,9-14,19-22H2,1-8H3.
What are the key properties of 2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene?
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene has a molecular weight of 1232.19 g/mol, XLogP of 31.82, 45 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene is sourced from PubChem (CID 173324782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).