dodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate

C19H40NO5P — CID 10763151

IUPACdodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate
SMILESCCCCCCCCCCCCOP(=O)([O-])OCC[N+]1(C)CCOCC1
InChIInChI=1S/C19H40NO5P/c1-3-4-5-6-7-8-9-10-11-12-16-24-26(21,22)25-19-15-20(2)13-17-23-18-14-20/h3-19H2,1-2H3
InChIKeyHDTCPTVJTRXVLD-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.89
Rot. Bonds16

About dodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate

dodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate (PubChem CID 10763151) has the molecular formula C19H40NO5P and a molecular weight of 393.51 g/mol. Its IUPAC name is dodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate.

Molecular Properties

Compound Namedodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate
PubChem CID10763151
Molecular FormulaC19H40NO5P
Molecular Weight393.51 g/mol
Exact Mass393.26
IUPAC Namedodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate
SMILESCCCCCCCCCCCCOP(=O)([O-])OCC[N+]1(C)CCOCC1
InChIInChI=1S/C19H40NO5P/c1-3-4-5-6-7-8-9-10-11-12-16-24-26(21,22)25-19-15-20(2)13-17-23-18-14-20/h3-19H2,1-2H3
InChIKeyHDTCPTVJTRXVLD-UHFFFAOYSA-N
XLogP3.89
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 dodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate 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

2-dodecoxyethyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate
CID 10694275
2-(4-methylmorpholin-4-ium-4-yl)ethoxy-octadecylphosphinate
CID 23641597
2-(1-methylpiperidin-1-ium-1-yl)ethyl tetradecyl phosphate
CID 10716972
hexadecyl 2-(1-methylazocan-1-ium-1-yl)ethyl phosphate
CID 44612949
2-(4-hydroxy-1-methylpiperidin-1-ium-1-yl)ethyl octadecyl phosphate
CID 45268809
diicosyl phosphate
CID 21219883
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
azanium didecyl phosphate
CID 157179907
disodium bis(dioctadecyl phosphate)
CID 172826116
zinc bis(dinonyl phosphate)
CID 87237924
beryllium bis(dihexadecyl phosphate)
CID 102241208
chromium(2+);dihexyl phosphate
CID 18626712

Frequently Asked Questions

What is the IUPAC name of dodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate?
The IUPAC name of dodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate (CID 10763151) is dodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate.
What is the SMILES notation for dodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate?
The canonical SMILES for dodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate is CCCCCCCCCCCCOP(=O)([O-])OCC[N+]1(C)CCOCC1.
What is the InChIKey of dodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate?
The InChIKey is HDTCPTVJTRXVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40NO5P/c1-3-4-5-6-7-8-9-10-11-12-16-24-26(21,22)25-19-15-20(2)13-17-23-18-14-20/h3-19H2,1-2H3.
What are the key properties of dodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate?
dodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate has a molecular weight of 393.51 g/mol, XLogP of 3.89, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl 2-(4-methylmorpholin-4-ium-4-yl)ethyl phosphate is sourced from PubChem (CID 10763151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).