[2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium

C14H31NO2P+ — CID 154436758

IUPAC[2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium
SMILESCCCCCCCCCP(O)C(=O)C[N+](C)(C)C
InChIInChI=1S/C14H31NO2P/c1-5-6-7-8-9-10-11-12-18(17)14(16)13-15(2,3)4/h17H,5-13H2,1-4H3/q+1
InChIKeyQWLMMGGHJNWRNU-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.36
Rot. Bonds11

About [2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium

[2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium (PubChem CID 154436758) has the molecular formula C14H31NO2P+ and a molecular weight of 276.38 g/mol. Its IUPAC name is [2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium
PubChem CID154436758
Molecular FormulaC14H31NO2P+
Molecular Weight276.38 g/mol
Exact Mass276.21
IUPAC Name[2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium
SMILESCCCCCCCCCP(O)C(=O)C[N+](C)(C)C
InChIInChI=1S/C14H31NO2P/c1-5-6-7-8-9-10-11-12-18(17)14(16)13-15(2,3)4/h17H,5-13H2,1-4H3/q+1
InChIKeyQWLMMGGHJNWRNU-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.36
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[2-[hexadecanoyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 172687979
butyl 2-methylprop-2-enoate;[2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanyl]-2-oxoethyl]-trimethylazanium
CID 87724338
[2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 175453056
carbonic acid;trioctylphosphane
CID 174362126
hexadecanoate;2-(trimethylazaniumyl)acetate
CID 22242455
carboxymethyl(trimethyl)azanium;hexadecanoate
CID 127262286
hexadecyl(trimethyl)azanium;methanol;bromide
CID 160928079
bis(hexadecyl(trimethyl)azanium);carbonate
CID 15617077
bis(trimethyl(tetradecyl)azanium);carbonate
CID 118467100
[2-[[1-ethoxy-2-(2-propyltetradecoxy)ethyl]-hydroxyphosphanyl]-2-oxoethyl]-trimethylazanium
CID 174480300
[2-[2-(dodecanoylamino)ethylamino]-2-oxoethyl]-trimethylazanium
CID 23556532
octane;tetramethylazanium
CID 174525343

Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium (CID 154436758) is [2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium is CCCCCCCCCP(O)C(=O)C[N+](C)(C)C.
What is the InChIKey of [2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium?
The InChIKey is QWLMMGGHJNWRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2P/c1-5-6-7-8-9-10-11-12-18(17)14(16)13-15(2,3)4/h17H,5-13H2,1-4H3/q+1.
What are the key properties of [2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium?
[2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium has a molecular weight of 276.38 g/mol, XLogP of 3.36, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 154436758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).