2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium

C24H51NO4P+ — CID 118059717

IUPAC2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium
SMILESCCCCCCCCC(C(=O)[N+](CC)(CC)CCCCCC)P(=O)(OCC)OCC
InChIInChI=1S/C24H51NO4P/c1-7-13-15-17-18-19-21-23(30(27,28-11-5)29-12-6)24(26)25(9-3,10-4)22-20-16-14-8-2/h23H,7-22H2,1-6H3/q+1
InChIKeyZKXCSMINWAVPDX-UHFFFAOYSA-N
MW448.65 g/mol
LogP7.34
Rot. Bonds20

About 2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium

2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium (PubChem CID 118059717) has the molecular formula C24H51NO4P+ and a molecular weight of 448.65 g/mol. Its IUPAC name is 2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium.

Molecular Properties

Compound Name2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium
PubChem CID118059717
Molecular FormulaC24H51NO4P+
Molecular Weight448.65 g/mol
Exact Mass448.36
IUPAC Name2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium
SMILESCCCCCCCCC(C(=O)[N+](CC)(CC)CCCCCC)P(=O)(OCC)OCC
InChIInChI=1S/C24H51NO4P/c1-7-13-15-17-18-19-21-23(30(27,28-11-5)29-12-6)24(26)25(9-3,10-4)22-20-16-14-8-2/h23H,7-22H2,1-6H3/q+1
InChIKeyZKXCSMINWAVPDX-UHFFFAOYSA-N
XLogP7.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.65
LogP ≤ 57.34
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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-diethoxyphosphoryltridecanoate
CID 56931385
ethyl (2S)-2-diethoxyphosphorylhexadecanoate
CID 98633198
1,1-bis(diethoxyphosphoryl)tridecane
CID 172732742
3-diethoxyphosphoryl-2-methylhept-1-ene
CID 10658188
ethyl 2-diethoxyphosphoryl-5-fluoropentanoate
CID 86678426
ethyl (2R)-2-diethoxyphosphorylpentanoate
CID 6992997
1-diethoxyphosphoryldodecan-2-ol
CID 10448817
ethyl (2S)-2-hydroxytetracosanoate
CID 98049873
2,5-bis(diethoxyphosphoryl)hexanedioic acid
CID 54116909
methyl (2R)-2-dimethoxyphosphoryldodecanoate
CID 98566008
amino-(3-diethoxyphosphorylpropyl)-methyl-tetradecylazanium
CID 121391987
3-diethoxyphosphorylpropyl-hexadecyl-dimethylazanium;ethane
CID 145097741

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium?
The IUPAC name of 2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium (CID 118059717) is 2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium.
What is the SMILES notation for 2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium?
The canonical SMILES for 2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium is CCCCCCCCC(C(=O)[N+](CC)(CC)CCCCCC)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium?
The InChIKey is ZKXCSMINWAVPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO4P/c1-7-13-15-17-18-19-21-23(30(27,28-11-5)29-12-6)24(26)25(9-3,10-4)22-20-16-14-8-2/h23H,7-22H2,1-6H3/q+1.
What are the key properties of 2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium?
2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium has a molecular weight of 448.65 g/mol, XLogP of 7.34, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium is sourced from PubChem (CID 118059717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).