(9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene

C25H42 — CID 54038211

IUPAC(9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene
SMILESCC(C)=CCCC(C)=CC/C=C/C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C25H42/c1-21(2)13-10-17-23(5)15-8-9-16-24(6)19-12-20-25(7)18-11-14-22(3)4/h9,13-16,20,24H,8,10-12,17-19H2,1-7H3/b16-9+,23-15?,25-20?
InChIKeyQPNRRRPNMZPKMI-GFLHFYMPSA-N
MW342.61 g/mol
LogP8.73
Rot. Bonds12

About (9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene

(9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene (PubChem CID 54038211) has the molecular formula C25H42 and a molecular weight of 342.61 g/mol. Its IUPAC name is (9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene.

Molecular Properties

Compound Name(9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene
PubChem CID54038211
Molecular FormulaC25H42
Molecular Weight342.61 g/mol
Exact Mass342.33
IUPAC Name(9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene
SMILESCC(C)=CCCC(C)=CC/C=C/C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C25H42/c1-21(2)13-10-17-23(5)15-8-9-16-24(6)19-12-20-25(7)18-11-14-22(3)4/h9,13-16,20,24H,8,10-12,17-19H2,1-7H3/b16-9+,23-15?,25-20?
InChIKeyQPNRRRPNMZPKMI-GFLHFYMPSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Squalene
CID 638072
Gamma-Terpinene
CID 7461
Dihydromyrcene
CID 17090
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 11975273
Dihydromyrcene, (+)-
CID 10887985
(-)-Cembrene A
CID 5281384
2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 1105
Dihydromyrcene, (-)-
CID 10997105
3-Methyl-1,2-didehydro-2,3-dihydrosqualene
CID 70679146
2-Isopropyl-1,4-hexadiene
CID 6429324
Pentene, 2,4,4-trimethyl-
CID 102601787
5,7-Dimethylocta-1,6-diene
CID 280943

Frequently Asked Questions

What is the IUPAC name of (9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene?
The IUPAC name of (9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene (CID 54038211) is (9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene.
What is the SMILES notation for (9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene?
The canonical SMILES for (9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene is CC(C)=CCCC(C)=CC/C=C/C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of (9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene?
The InChIKey is QPNRRRPNMZPKMI-GFLHFYMPSA-N. The full InChI is InChI=1S/C25H42/c1-21(2)13-10-17-23(5)15-8-9-16-24(6)19-12-20-25(7)18-11-14-22(3)4/h9,13-16,20,24H,8,10-12,17-19H2,1-7H3/b16-9+,23-15?,25-20?.
What are the key properties of (9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene?
(9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene has a molecular weight of 342.61 g/mol, XLogP of 8.73, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-2,6,11,15,19-pentamethylicosa-2,6,9,14,18-pentaene is sourced from PubChem (CID 54038211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).