aminophosphonic acid;dodecan-1-ol

C12H30NO4P — CID 174506019

IUPACaminophosphonic acid;dodecan-1-ol
SMILESCCCCCCCCCCCCO.NP(=O)(O)O
InChIInChI=1S/C12H26O.H4NO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-5(2,3)4/h13H,2-12H2,1H3;(H4,1,2,3,4)
InChIKeyJTEQBMQZCWRHEL-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.94
Rot. Bonds10

About aminophosphonic acid;dodecan-1-ol

aminophosphonic acid;dodecan-1-ol (PubChem CID 174506019) has the molecular formula C12H30NO4P and a molecular weight of 283.35 g/mol. Its IUPAC name is aminophosphonic acid;dodecan-1-ol.

Molecular Properties

Compound Nameaminophosphonic acid;dodecan-1-ol
PubChem CID174506019
Molecular FormulaC12H30NO4P
Molecular Weight283.35 g/mol
Exact Mass283.19
IUPAC Nameaminophosphonic acid;dodecan-1-ol
SMILESCCCCCCCCCCCCO.NP(=O)(O)O
InChIInChI=1S/C12H26O.H4NO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-5(2,3)4/h13H,2-12H2,1H3;(H4,1,2,3,4)
InChIKeyJTEQBMQZCWRHEL-UHFFFAOYSA-N
XLogP2.94
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.94
H-Bond Donors ≤ 54
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

heptadecan-1-ol;phosphoric acid
CID 174616506
octadecan-1-ol;phosphoric acid;zinc
CID 175122102
phosphoric acid;silane;tridecan-1-ol
CID 174860606
sodium;dodecan-1-ol;hydride;phosphoric acid
CID 173189206
calcium;hydride;phosphoric acid;triacontan-1-ol
CID 175292657
CID 170851414
CID 170851414
trisodium;octadecan-1-ol;phosphate
CID 173304985
heptan-1-ol;hydrazine
CID 159330416
hexan-1-ol;nonane
CID 175106830
heptan-1-ol;nonan-1-ol
CID 160785033
octan-1-ol;pentane-1,5-diol
CID 174867151
hexadecane;hexadecan-1-ol
CID 22418546

Frequently Asked Questions

What is the IUPAC name of aminophosphonic acid;dodecan-1-ol?
The IUPAC name of aminophosphonic acid;dodecan-1-ol (CID 174506019) is aminophosphonic acid;dodecan-1-ol.
What is the SMILES notation for aminophosphonic acid;dodecan-1-ol?
The canonical SMILES for aminophosphonic acid;dodecan-1-ol is CCCCCCCCCCCCO.NP(=O)(O)O.
What is the InChIKey of aminophosphonic acid;dodecan-1-ol?
The InChIKey is JTEQBMQZCWRHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.H4NO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-5(2,3)4/h13H,2-12H2,1H3;(H4,1,2,3,4).
What are the key properties of aminophosphonic acid;dodecan-1-ol?
aminophosphonic acid;dodecan-1-ol has a molecular weight of 283.35 g/mol, XLogP of 2.94, 10 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aminophosphonic acid;dodecan-1-ol is sourced from PubChem (CID 174506019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).