azane;methyl octyl hydrogen phosphate

C9H24NO4P — CID 175087561

IUPACazane;methyl octyl hydrogen phosphate
SMILESCCCCCCCCOP(=O)(O)OC.N
InChIInChI=1S/C9H21O4P.H3N/c1-3-4-5-6-7-8-9-13-14(10,11)12-2;/h3-9H2,1-2H3,(H,10,11);1H3
InChIKeyWPZKRHMJVBERLH-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.27
Rot. Bonds9

About azane;methyl octyl hydrogen phosphate

azane;methyl octyl hydrogen phosphate (PubChem CID 175087561) has the molecular formula C9H24NO4P and a molecular weight of 241.27 g/mol. Its IUPAC name is azane;methyl octyl hydrogen phosphate.

Molecular Properties

Compound Nameazane;methyl octyl hydrogen phosphate
PubChem CID175087561
Molecular FormulaC9H24NO4P
Molecular Weight241.27 g/mol
Exact Mass241.14
IUPAC Nameazane;methyl octyl hydrogen phosphate
SMILESCCCCCCCCOP(=O)(O)OC.N
InChIInChI=1S/C9H21O4P.H3N/c1-3-4-5-6-7-8-9-13-14(10,11)12-2;/h3-9H2,1-2H3,(H,10,11);1H3
InChIKeyWPZKRHMJVBERLH-UHFFFAOYSA-N
XLogP3.27
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze azane;methyl octyl hydrogen 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

methyl octyl hydrogen phosphate
CID 13032455
methyl pentadecyl hydrogen phosphate
CID 175295583
methyl octadec-9-enyl hydrogen phosphate
CID 90872406
hexyl nonyl hydrogen phosphate
CID 23169649
decyl dodecyl hydrogen phosphate
CID 20810618
hexadecyl hexyl hydrogen phosphate
CID 15132676
2-heptadecoxyethyl methyl hydrogen phosphate
CID 175908043
decyl propyl hydrogen phosphate
CID 87587050
didodecyl hydrogen phosphate;nickel
CID 87136164
butyl heptyl hydrogen phosphate
CID 86151412
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
dioctyl hydrogen phosphate;zinc
CID 20743274

Frequently Asked Questions

What is the IUPAC name of azane;methyl octyl hydrogen phosphate?
The IUPAC name of azane;methyl octyl hydrogen phosphate (CID 175087561) is azane;methyl octyl hydrogen phosphate.
What is the SMILES notation for azane;methyl octyl hydrogen phosphate?
The canonical SMILES for azane;methyl octyl hydrogen phosphate is CCCCCCCCOP(=O)(O)OC.N.
What is the InChIKey of azane;methyl octyl hydrogen phosphate?
The InChIKey is WPZKRHMJVBERLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O4P.H3N/c1-3-4-5-6-7-8-9-13-14(10,11)12-2;/h3-9H2,1-2H3,(H,10,11);1H3.
What are the key properties of azane;methyl octyl hydrogen phosphate?
azane;methyl octyl hydrogen phosphate has a molecular weight of 241.27 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl octyl hydrogen phosphate is sourced from PubChem (CID 175087561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).