2-(tert-butylazaniumyl)ethyl dodecyl phosphate

C18H40NO4P — CID 15742035

IUPAC2-(tert-butylazaniumyl)ethyl dodecyl phosphate
SMILESCCCCCCCCCCCCOP(=O)([O-])OCC[NH2+]C(C)(C)C
InChIInChI=1S/C18H40NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-22-24(20,21)23-17-15-19-18(2,3)4/h19H,5-17H2,1-4H3,(H,20,21)
InChIKeyGVHLTVGISOVZLN-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.77
Rot. Bonds16

About 2-(tert-butylazaniumyl)ethyl dodecyl phosphate

2-(tert-butylazaniumyl)ethyl dodecyl phosphate (PubChem CID 15742035) has the molecular formula C18H40NO4P and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(tert-butylazaniumyl)ethyl dodecyl phosphate.

Molecular Properties

Compound Name2-(tert-butylazaniumyl)ethyl dodecyl phosphate
PubChem CID15742035
Molecular FormulaC18H40NO4P
Molecular Weight365.50 g/mol
Exact Mass365.27
IUPAC Name2-(tert-butylazaniumyl)ethyl dodecyl phosphate
SMILESCCCCCCCCCCCCOP(=O)([O-])OCC[NH2+]C(C)(C)C
InChIInChI=1S/C18H40NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-22-24(20,21)23-17-15-19-18(2,3)4/h19H,5-17H2,1-4H3,(H,20,21)
InChIKeyGVHLTVGISOVZLN-UHFFFAOYSA-N
XLogP3.77
TPSA75.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

diicosyl phosphate
CID 21219883
disodium bis(dioctadecyl phosphate)
CID 172826116
zinc bis(dinonyl phosphate)
CID 87237924
beryllium bis(dihexadecyl phosphate)
CID 102241208
chromium(2+);dihexyl phosphate
CID 18626712
azanium didecyl phosphate
CID 157179907
2-[decoxy(oxido)phosphoryl]oxyethyl decyl phosphate
CID 102130313
potassium dodecyl octyl phosphate
CID 175269895
calcium bis(dihexyl phosphate)
CID 159957382
bis(dioctyl phosphate);oxotitanium(2+)
CID 139722402
sodium butyl decyl phosphate
CID 174997110
dipentyl phosphate;nickel(2+)
CID 22743882

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylazaniumyl)ethyl dodecyl phosphate?
The IUPAC name of 2-(tert-butylazaniumyl)ethyl dodecyl phosphate (CID 15742035) is 2-(tert-butylazaniumyl)ethyl dodecyl phosphate.
What is the SMILES notation for 2-(tert-butylazaniumyl)ethyl dodecyl phosphate?
The canonical SMILES for 2-(tert-butylazaniumyl)ethyl dodecyl phosphate is CCCCCCCCCCCCOP(=O)([O-])OCC[NH2+]C(C)(C)C.
What is the InChIKey of 2-(tert-butylazaniumyl)ethyl dodecyl phosphate?
The InChIKey is GVHLTVGISOVZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-22-24(20,21)23-17-15-19-18(2,3)4/h19H,5-17H2,1-4H3,(H,20,21).
What are the key properties of 2-(tert-butylazaniumyl)ethyl dodecyl phosphate?
2-(tert-butylazaniumyl)ethyl dodecyl phosphate has a molecular weight of 365.50 g/mol, XLogP of 3.77, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylazaniumyl)ethyl dodecyl phosphate is sourced from PubChem (CID 15742035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).