azane;decan-5-yl dihydrogen phosphate

C10H26NO4P — CID 88685768

IUPACazane;decan-5-yl dihydrogen phosphate
SMILESCCCCCC(CCCC)OP(=O)(O)O.N
InChIInChI=1S/C10H23O4P.H3N/c1-3-5-7-9-10(8-6-4-2)14-15(11,12)13;/h10H,3-9H2,1-2H3,(H2,11,12,13);1H3
InChIKeyILOBZTKYCSCCNI-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.40
Rot. Bonds9

About azane;decan-5-yl dihydrogen phosphate

azane;decan-5-yl dihydrogen phosphate (PubChem CID 88685768) has the molecular formula C10H26NO4P and a molecular weight of 255.29 g/mol. Its IUPAC name is azane;decan-5-yl dihydrogen phosphate.

Molecular Properties

Compound Nameazane;decan-5-yl dihydrogen phosphate
PubChem CID88685768
Molecular FormulaC10H26NO4P
Molecular Weight255.29 g/mol
Exact Mass255.16
IUPAC Nameazane;decan-5-yl dihydrogen phosphate
SMILESCCCCCC(CCCC)OP(=O)(O)O.N
InChIInChI=1S/C10H23O4P.H3N/c1-3-5-7-9-10(8-6-4-2)14-15(11,12)13;/h10H,3-9H2,1-2H3,(H2,11,12,13);1H3
InChIKeyILOBZTKYCSCCNI-UHFFFAOYSA-N
XLogP3.40
TPSA101.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
copper;octan-3-yl dihydrogen phosphate
CID 174493101
2-methyldodecan-5-yl dihydrogen phosphate
CID 23120845
2-phosphonooxydecylazanium
CID 102322927
heptan-4-yl dihydrogen phosphate
CID 18763997
trimethyl(2-phosphonooxyoctyl)azanium
CID 87551003
triheptatriacontan-19-yl phosphate
CID 87670645
dodecan-4-yl phosphono hydrogen phosphate
CID 88765863

Frequently Asked Questions

What is the IUPAC name of azane;decan-5-yl dihydrogen phosphate?
The IUPAC name of azane;decan-5-yl dihydrogen phosphate (CID 88685768) is azane;decan-5-yl dihydrogen phosphate.
What is the SMILES notation for azane;decan-5-yl dihydrogen phosphate?
The canonical SMILES for azane;decan-5-yl dihydrogen phosphate is CCCCCC(CCCC)OP(=O)(O)O.N.
What is the InChIKey of azane;decan-5-yl dihydrogen phosphate?
The InChIKey is ILOBZTKYCSCCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O4P.H3N/c1-3-5-7-9-10(8-6-4-2)14-15(11,12)13;/h10H,3-9H2,1-2H3,(H2,11,12,13);1H3.
What are the key properties of azane;decan-5-yl dihydrogen phosphate?
azane;decan-5-yl dihydrogen phosphate has a molecular weight of 255.29 g/mol, XLogP of 3.40, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;decan-5-yl dihydrogen phosphate is sourced from PubChem (CID 88685768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).