azane;1-decoxydecane;ethanol;phosphoric acid

C24H66N3O7P — CID 174485868

IUPACazane;1-decoxydecane;ethanol;phosphoric acid
SMILESCCCCCCCCCCOCCCCCCCCCC.CCO.CCO.N.N.N.O=P(O)(O)O
InChIInChI=1S/C20H42O.2C2H6O.3H3N.H3O4P/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;2*1-2-3;;;;1-5(2,3)4/h3-20H2,1-2H3;2*3H,2H2,1H3;3*1H3;(H3,1,2,3,4)
InChIKeyBISHCBHBWYGLCD-UHFFFAOYSA-N
MW539.78 g/mol
LogP6.84
Rot. Bonds18

About azane;1-decoxydecane;ethanol;phosphoric acid

azane;1-decoxydecane;ethanol;phosphoric acid (PubChem CID 174485868) has the molecular formula C24H66N3O7P and a molecular weight of 539.78 g/mol. Its IUPAC name is azane;1-decoxydecane;ethanol;phosphoric acid.

Molecular Properties

Compound Nameazane;1-decoxydecane;ethanol;phosphoric acid
PubChem CID174485868
Molecular FormulaC24H66N3O7P
Molecular Weight539.78 g/mol
Exact Mass539.46
IUPAC Nameazane;1-decoxydecane;ethanol;phosphoric acid
SMILESCCCCCCCCCCOCCCCCCCCCC.CCO.CCO.N.N.N.O=P(O)(O)O
InChIInChI=1S/C20H42O.2C2H6O.3H3N.H3O4P/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;2*1-2-3;;;;1-5(2,3)4/h3-20H2,1-2H3;2*3H,2H2,1H3;3*1H3;(H3,1,2,3,4)
InChIKeyBISHCBHBWYGLCD-UHFFFAOYSA-N
XLogP6.84
TPSA232.45 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500539.78
LogP ≤ 56.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

potassium;hydride;1-nonoxynonane;phosphoric acid
CID 173401675
phosphono dihydrogen phosphate;1-tridecoxytridecane
CID 174553837
dipotassium;1-dodecoxydodecane;hydrogen phosphate
CID 173239706
azane;1-decoxydecane
CID 87410134
azane;1-tetradecoxytetradecane
CID 22505765
bis(2-decoxyethyl) hydrogen phosphate
CID 13261719
bis(2-octadecoxyethyl) hydrogen phosphate
CID 57299614
2-(2-octadecoxyethoxy)ethyl dihydrogen phosphate
CID 72941562
tripotassium;2-tridecoxyethanol;phosphate
CID 22833352
1,1-dibromo-6-hexoxyhexane;phosphoric acid
CID 175364801
ethane-1,2-diol;1-pentoxyheptane
CID 175114778
ethanol;hexadecyl dihydrogen phosphate
CID 174523308

Frequently Asked Questions

What is the IUPAC name of azane;1-decoxydecane;ethanol;phosphoric acid?
The IUPAC name of azane;1-decoxydecane;ethanol;phosphoric acid (CID 174485868) is azane;1-decoxydecane;ethanol;phosphoric acid.
What is the SMILES notation for azane;1-decoxydecane;ethanol;phosphoric acid?
The canonical SMILES for azane;1-decoxydecane;ethanol;phosphoric acid is CCCCCCCCCCOCCCCCCCCCC.CCO.CCO.N.N.N.O=P(O)(O)O.
What is the InChIKey of azane;1-decoxydecane;ethanol;phosphoric acid?
The InChIKey is BISHCBHBWYGLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O.2C2H6O.3H3N.H3O4P/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2;2*1-2-3;;;;1-5(2,3)4/h3-20H2,1-2H3;2*3H,2H2,1H3;3*1H3;(H3,1,2,3,4).
What are the key properties of azane;1-decoxydecane;ethanol;phosphoric acid?
azane;1-decoxydecane;ethanol;phosphoric acid has a molecular weight of 539.78 g/mol, XLogP of 6.84, 18 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-decoxydecane;ethanol;phosphoric acid is sourced from PubChem (CID 174485868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).