[2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium

C9H21NO3P+ — CID 175251976

IUPAC[2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
SMILESCCOC(C)P(O)C(=O)C[N+](C)(C)C
InChIInChI=1S/C9H21NO3P/c1-6-13-8(2)14(12)9(11)7-10(3,4)5/h8,12H,6-7H2,1-5H3/q+1
InChIKeyDKRPRSFZHGNZTC-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.99
Rot. Bonds6

About [2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium

[2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium (PubChem CID 175251976) has the molecular formula C9H21NO3P+ and a molecular weight of 222.24 g/mol. Its IUPAC name is [2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium.

Molecular Properties

Compound Name[2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
PubChem CID175251976
Molecular FormulaC9H21NO3P+
Molecular Weight222.24 g/mol
Exact Mass222.13
IUPAC Name[2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
SMILESCCOC(C)P(O)C(=O)C[N+](C)(C)C
InChIInChI=1S/C9H21NO3P/c1-6-13-8(2)14(12)9(11)7-10(3,4)5/h8,12H,6-7H2,1-5H3/q+1
InChIKeyDKRPRSFZHGNZTC-UHFFFAOYSA-N
XLogP0.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[2-[hydroxy-(4-methyl-3-oxopent-4-en-2-yl)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 175350831
[2-[hydroxy(2-hydroxypropyl)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 175453056
[2-[hydroxy(nonyl)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 154436758
2-ethoxypropanoic acid;methane
CID 160636954
carbonic acid;1,1-diethoxyethane
CID 87827362
sodium 2-ethoxypropanoate
CID 141029681
(2-ethoxy-2-oxoethyl)-dimethyl-(113C)methylazanium iodide
CID 169440082
[2-[hexadecanoyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium
CID 172687979
1,1-diethoxyethane;sulfane
CID 87563963
[2-[ethoxy(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium;2-methylhept-2-enoic acid
CID 174701750
carbonic acid;2-ethoxypropane-1,3-diol
CID 175422223
(3R)-3-ethoxy-4-(trimethylazaniumyl)butanoate
CID 122447601

Frequently Asked Questions

What is the IUPAC name of [2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium?
The IUPAC name of [2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium (CID 175251976) is [2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium.
What is the SMILES notation for [2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium?
The canonical SMILES for [2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium is CCOC(C)P(O)C(=O)C[N+](C)(C)C.
What is the InChIKey of [2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium?
The InChIKey is DKRPRSFZHGNZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3P/c1-6-13-8(2)14(12)9(11)7-10(3,4)5/h8,12H,6-7H2,1-5H3/q+1.
What are the key properties of [2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium?
[2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium has a molecular weight of 222.24 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-ethoxyethyl(hydroxy)phosphanyl]-2-oxoethyl]-trimethylazanium is sourced from PubChem (CID 175251976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).