2-hydroxypropyl-oxo-undecylphosphanium

C14H30O2P+ — CID 173360808

IUPAC2-hydroxypropyl-oxo-undecylphosphanium
SMILESCCCCCCCCCCC[P+](=O)CC(C)O
InChIInChI=1S/C14H30O2P/c1-3-4-5-6-7-8-9-10-11-12-17(16)13-14(2)15/h14-15H,3-13H2,1-2H3/q+1
InChIKeyAIZFYUZIGPOALJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.73
Rot. Bonds12

About 2-hydroxypropyl-oxo-undecylphosphanium

2-hydroxypropyl-oxo-undecylphosphanium (PubChem CID 173360808) has the molecular formula C14H30O2P+ and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-hydroxypropyl-oxo-undecylphosphanium.

Molecular Properties

Compound Name2-hydroxypropyl-oxo-undecylphosphanium
PubChem CID173360808
Molecular FormulaC14H30O2P+
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-hydroxypropyl-oxo-undecylphosphanium
SMILESCCCCCCCCCCC[P+](=O)CC(C)O
InChIInChI=1S/C14H30O2P/c1-3-4-5-6-7-8-9-10-11-12-17(16)13-14(2)15/h14-15H,3-13H2,1-2H3/q+1
InChIKeyAIZFYUZIGPOALJ-UHFFFAOYSA-N
XLogP4.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.73
H-Bond Donors ≤ 51
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

2-hydroxypropyl-oxo-pentadecylphosphanium
CID 151683091
octane;propan-2-ol
CID 160746796
2-[[(2S,3S)-3-hexadecoxy-2-hydroxybutyl]-oxophosphaniumyl]ethyl-trimethylazanium
CID 88639532
hydroxy-octyl-oxophosphanium;nickel
CID 87136142
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
acetic acid;tridecan-2-ol
CID 71339808
docosan-2-ol
CID 14151025
(2S)-octadecan-2-ol
CID 25022019
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl-oxo-undecylphosphanium?
The IUPAC name of 2-hydroxypropyl-oxo-undecylphosphanium (CID 173360808) is 2-hydroxypropyl-oxo-undecylphosphanium.
What is the SMILES notation for 2-hydroxypropyl-oxo-undecylphosphanium?
The canonical SMILES for 2-hydroxypropyl-oxo-undecylphosphanium is CCCCCCCCCCC[P+](=O)CC(C)O.
What is the InChIKey of 2-hydroxypropyl-oxo-undecylphosphanium?
The InChIKey is AIZFYUZIGPOALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2P/c1-3-4-5-6-7-8-9-10-11-12-17(16)13-14(2)15/h14-15H,3-13H2,1-2H3/q+1.
What are the key properties of 2-hydroxypropyl-oxo-undecylphosphanium?
2-hydroxypropyl-oxo-undecylphosphanium has a molecular weight of 261.37 g/mol, XLogP of 4.73, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl-oxo-undecylphosphanium is sourced from PubChem (CID 173360808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).