[(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate

C24H36NO4P — CID 23730352

IUPAC[(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate
SMILESC[N+](C)(C)CCOP(=O)([O-])OCCCCC/C=C/C=C/C=C/C=C/c1ccccc1
InChIInChI=1S/C24H36NO4P/c1-25(2,3)21-23-29-30(26,27)28-22-17-12-10-8-6-4-5-7-9-11-14-18-24-19-15-13-16-20-24/h4-7,9,11,13-16,18-20H,8,10,12,17,21-23H2,1-3H3/b6-4+,7-5+,11-9+,18-14+
InChIKeyRCGDOVVFVRSMHN-AMXQBDPISA-N
MW433.53 g/mol
LogP5.14
Rot. Bonds15

About [(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate

[(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate (PubChem CID 23730352) has the molecular formula C24H36NO4P and a molecular weight of 433.53 g/mol. Its IUPAC name is [(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate.

Molecular Properties

Compound Name[(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate
PubChem CID23730352
Molecular FormulaC24H36NO4P
Molecular Weight433.53 g/mol
Exact Mass433.24
IUPAC Name[(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate
SMILESC[N+](C)(C)CCOP(=O)([O-])OCCCCC/C=C/C=C/C=C/C=C/c1ccccc1
InChIInChI=1S/C24H36NO4P/c1-25(2,3)21-23-29-30(26,27)28-22-17-12-10-8-6-4-5-7-9-11-14-18-24-19-15-13-16-20-24/h4-7,9,11,13-16,18-20H,8,10,12,17,21-23H2,1-3H3/b6-4+,7-5+,11-9+,18-14+
InChIKeyRCGDOVVFVRSMHN-AMXQBDPISA-N
XLogP5.14
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate with MolForge

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Related Compounds

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[(Z)-icos-11-enyl] 2-(trimethylazaniumyl)ethyl phosphate
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[(Z)-tetracos-15-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 58922751
2-[hydroxy-[4-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]butoxy]phosphoryl]oxyethyl-trimethylazanium
CID 102414878
32-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxydotriacontyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11366358
octadeca-1,3-dienylbenzene
CID 54155436
henicosyl 2-(trimethylazaniumyl)ethyl phosphate
CID 24836767
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
12-(3-(125I)iodophenyl)dodecyl 2-(trimethylazaniumyl)ethyl phosphate
CID 3038403
5-cyclodecylidenepentyl 2-(trimethylazaniumyl)ethyl phosphate
CID 24801551
18-(4-iodophenyl)octadecyl 2-(trimethylazaniumyl)ethyl phosphate
CID 11570943
4-phenylmethoxynonadecyl 2-(trimethylazaniumyl)ethyl phosphate
CID 15735677

Frequently Asked Questions

What is the IUPAC name of [(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate?
The IUPAC name of [(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate (CID 23730352) is [(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate.
What is the SMILES notation for [(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate?
The canonical SMILES for [(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate is C[N+](C)(C)CCOP(=O)([O-])OCCCCC/C=C/C=C/C=C/C=C/c1ccccc1.
What is the InChIKey of [(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate?
The InChIKey is RCGDOVVFVRSMHN-AMXQBDPISA-N. The full InChI is InChI=1S/C24H36NO4P/c1-25(2,3)21-23-29-30(26,27)28-22-17-12-10-8-6-4-5-7-9-11-14-18-24-19-15-13-16-20-24/h4-7,9,11,13-16,18-20H,8,10,12,17,21-23H2,1-3H3/b6-4+,7-5+,11-9+,18-14+.
What are the key properties of [(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate?
[(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate has a molecular weight of 433.53 g/mol, XLogP of 5.14, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E,8E,10E,12E)-13-phenyltrideca-6,8,10,12-tetraenyl] 2-(trimethylazaniumyl)ethyl phosphate is sourced from PubChem (CID 23730352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).