2-phosphonooxydecylazanium

C10H25NO4P+ — CID 102322927

IUPAC2-phosphonooxydecylazanium
SMILESCCCCCCCCC(C[NH3+])OP(=O)(O)O
InChIInChI=1S/C10H24NO4P/c1-2-3-4-5-6-7-8-10(9-11)15-16(12,13)14/h10H,2-9,11H2,1H3,(H2,12,13,14)/p+1
InChIKeyOYYWDXRDJCVZEK-UHFFFAOYSA-O
MW254.29 g/mol
LogP1.46
Rot. Bonds10

About 2-phosphonooxydecylazanium

2-phosphonooxydecylazanium (PubChem CID 102322927) has the molecular formula C10H25NO4P+ and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-phosphonooxydecylazanium.

Molecular Properties

Compound Name2-phosphonooxydecylazanium
PubChem CID102322927
Molecular FormulaC10H25NO4P+
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name2-phosphonooxydecylazanium
SMILESCCCCCCCCC(C[NH3+])OP(=O)(O)O
InChIInChI=1S/C10H24NO4P/c1-2-3-4-5-6-7-8-10(9-11)15-16(12,13)14/h10H,2-9,11H2,1H3,(H2,12,13,14)/p+1
InChIKeyOYYWDXRDJCVZEK-UHFFFAOYSA-O
XLogP1.46
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

dotriacontan-16-yl dihydrogen phosphate
CID 87532136
pentadecan-6-yl dihydrogen phosphate
CID 22719349
potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate
CID 173113859
henicosan-4-yl dihydrogen phosphate
CID 175269897
1-hydroxyoctadecan-3-yl dihydrogen phosphate
CID 139888263
azane;decan-5-yl dihydrogen phosphate
CID 88685768
copper;octan-3-yl dihydrogen phosphate
CID 174493101
2-methyldodecan-5-yl dihydrogen phosphate
CID 23120845
trimethyl(2-phosphonooxyoctyl)azanium
CID 87551003
dihydrogen phosphate;12-methoxyoctadecylazanium
CID 157313670
didecan-3-yl hydrogen phosphate
CID 22497654
1,1-diphenyldecan-3-yl dihydrogen phosphate
CID 141070435

Frequently Asked Questions

What is the IUPAC name of 2-phosphonooxydecylazanium?
The IUPAC name of 2-phosphonooxydecylazanium (CID 102322927) is 2-phosphonooxydecylazanium.
What is the SMILES notation for 2-phosphonooxydecylazanium?
The canonical SMILES for 2-phosphonooxydecylazanium is CCCCCCCCC(C[NH3+])OP(=O)(O)O.
What is the InChIKey of 2-phosphonooxydecylazanium?
The InChIKey is OYYWDXRDJCVZEK-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H24NO4P/c1-2-3-4-5-6-7-8-10(9-11)15-16(12,13)14/h10H,2-9,11H2,1H3,(H2,12,13,14)/p+1.
What are the key properties of 2-phosphonooxydecylazanium?
2-phosphonooxydecylazanium has a molecular weight of 254.29 g/mol, XLogP of 1.46, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphonooxydecylazanium is sourced from PubChem (CID 102322927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).