octadec-9-enyl-[2-(trimethylazaniumyl)ethoxy]phosphanide

C23H48NOP — CID 173439294

IUPACoctadec-9-enyl-[2-(trimethylazaniumyl)ethoxy]phosphanide
SMILESCCCCCCCCC=CCCCCCCCC[P-]OCC[N+](C)(C)C
InChIInChI=1S/C23H48NOP/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-25-22-21-24(2,3)4/h12-13H,5-11,14-23H2,1-4H3
InChIKeyQANJIPFIVMREPP-UHFFFAOYSA-N
MW385.62 g/mol
LogP7.61
Rot. Bonds20

About octadec-9-enyl-[2-(trimethylazaniumyl)ethoxy]phosphanide

octadec-9-enyl-[2-(trimethylazaniumyl)ethoxy]phosphanide (PubChem CID 173439294) has the molecular formula C23H48NOP and a molecular weight of 385.62 g/mol. Its IUPAC name is octadec-9-enyl-[2-(trimethylazaniumyl)ethoxy]phosphanide.

Molecular Properties

Compound Nameoctadec-9-enyl-[2-(trimethylazaniumyl)ethoxy]phosphanide
PubChem CID173439294
Molecular FormulaC23H48NOP
Molecular Weight385.62 g/mol
Exact Mass385.35
IUPAC Nameoctadec-9-enyl-[2-(trimethylazaniumyl)ethoxy]phosphanide
SMILESCCCCCCCCC=CCCCCCCCC[P-]OCC[N+](C)(C)C
InChIInChI=1S/C23H48NOP/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-25-22-21-24(2,3)4/h12-13H,5-11,14-23H2,1-4H3
InChIKeyQANJIPFIVMREPP-UHFFFAOYSA-N
XLogP7.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.62
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[(E)-octadec-9-enyl]azanium hydroxide
CID 87880829
trimethyl-[(9Z,12Z)-octadeca-9,12-dienyl]azanium chloride
CID 71587378
[(Z)-tetracos-15-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 58922751
2-[hydroxy-[(Z)-nonadec-10-enoxy]phosphoryl]oxyethyl-trimethylazanium
CID 11744356
[(Z)-icos-11-enyl] 2-(trimethylazaniumyl)ethyl phosphate
CID 58922700
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300

Frequently Asked Questions

What is the IUPAC name of octadec-9-enyl-[2-(trimethylazaniumyl)ethoxy]phosphanide?
The IUPAC name of octadec-9-enyl-[2-(trimethylazaniumyl)ethoxy]phosphanide (CID 173439294) is octadec-9-enyl-[2-(trimethylazaniumyl)ethoxy]phosphanide.
What is the SMILES notation for octadec-9-enyl-[2-(trimethylazaniumyl)ethoxy]phosphanide?
The canonical SMILES for octadec-9-enyl-[2-(trimethylazaniumyl)ethoxy]phosphanide is CCCCCCCCC=CCCCCCCCC[P-]OCC[N+](C)(C)C.
What is the InChIKey of octadec-9-enyl-[2-(trimethylazaniumyl)ethoxy]phosphanide?
The InChIKey is QANJIPFIVMREPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48NOP/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-25-22-21-24(2,3)4/h12-13H,5-11,14-23H2,1-4H3.
What are the key properties of octadec-9-enyl-[2-(trimethylazaniumyl)ethoxy]phosphanide?
octadec-9-enyl-[2-(trimethylazaniumyl)ethoxy]phosphanide has a molecular weight of 385.62 g/mol, XLogP of 7.61, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadec-9-enyl-[2-(trimethylazaniumyl)ethoxy]phosphanide is sourced from PubChem (CID 173439294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).