(5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene

C22H36 — CID 138968984

IUPAC(5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene
SMILESC=CCC/C(C)=C/CC/C=C/CC/C(C)=C/CCC=C(C)C
InChIInChI=1S/C22H36/c1-6-7-16-21(4)17-11-9-8-10-12-18-22(5)19-14-13-15-20(2)3/h6,8,10,15,17,19H,1,7,9,11-14,16,18H2,2-5H3/b10-8+,21-17+,22-19+
InChIKeyYPIMMNKTXJZSAI-XGUXCWTOSA-N
MW300.53 g/mol
LogP7.71
Rot. Bonds12

About (5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene

(5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene (PubChem CID 138968984) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is (5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene.

Molecular Properties

Compound Name(5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene
PubChem CID138968984
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Name(5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene
SMILESC=CCC/C(C)=C/CC/C=C/CC/C(C)=C/CCC=C(C)C
InChIInChI=1S/C22H36/c1-6-7-16-21(4)17-11-9-8-10-12-18-22(5)19-14-13-15-20(2)3/h6,8,10,15,17,19H,1,7,9,11-14,16,18H2,2-5H3/b10-8+,21-17+,22-19+
InChIKeyYPIMMNKTXJZSAI-XGUXCWTOSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 57.71
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'}

Analyze (5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene with MolForge

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Related Compounds

(6E,10Z,14E,18Z)-2,10,23-trimethyltetracosa-2,6,10,14,18,22-hexaene
CID 5326453
10-methylundeca-1,5,9-triene
CID 71330376
2,10-dimethyldodeca-2,6,10-triene
CID 123930349
(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
(2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraen-1-ol
CID 88547692
(6Z,10E,14E,18E)-6-ethenyl-2,10,15,19,23-pentamethyltetracosa-2,6,10,14,18,22-hexaene
CID 101345792
(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
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227

Frequently Asked Questions

What is the IUPAC name of (5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene?
The IUPAC name of (5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene (CID 138968984) is (5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene.
What is the SMILES notation for (5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene?
The canonical SMILES for (5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene is C=CCC/C(C)=C/CC/C=C/CC/C(C)=C/CCC=C(C)C.
What is the InChIKey of (5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene?
The InChIKey is YPIMMNKTXJZSAI-XGUXCWTOSA-N. The full InChI is InChI=1S/C22H36/c1-6-7-16-21(4)17-11-9-8-10-12-18-22(5)19-14-13-15-20(2)3/h6,8,10,15,17,19H,1,7,9,11-14,16,18H2,2-5H3/b10-8+,21-17+,22-19+.
What are the key properties of (5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene?
(5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene has a molecular weight of 300.53 g/mol, XLogP of 7.71, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene is sourced from PubChem (CID 138968984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).