2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate

C9H22NO7P — CID 129040767

IUPAC2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate
SMILESCOP(=O)(O)OCCOCCOCCOCCN
InChIInChI=1S/C9H22NO7P/c1-13-18(11,12)17-9-8-16-7-6-15-5-4-14-3-2-10/h2-10H2,1H3,(H,11,12)
InChIKeyQWMMDEGPJMFRGO-UHFFFAOYSA-N
MW287.25 g/mol
LogP-0.24
Rot. Bonds13

About 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate

2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate (PubChem CID 129040767) has the molecular formula C9H22NO7P and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate.

Molecular Properties

Compound Name2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate
PubChem CID129040767
Molecular FormulaC9H22NO7P
Molecular Weight287.25 g/mol
Exact Mass287.11
IUPAC Name2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate
SMILESCOP(=O)(O)OCCOCCOCCOCCN
InChIInChI=1S/C9H22NO7P/c1-13-18(11,12)17-9-8-16-7-6-15-5-4-14-3-2-10/h2-10H2,1H3,(H,11,12)
InChIKeyQWMMDEGPJMFRGO-UHFFFAOYSA-N
XLogP-0.24
TPSA109.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2-methoxyethoxy)ethyl methyl hydrogen phosphate
CID 58743767
methyl 2-propoxyethyl hydrogen phosphate
CID 87066021
2-[2-(2-aminoethoxy)ethoxy]ethyl dimethyl phosphate
CID 147848914
2-aminoethyl 2-methoxyethyl hydrogen phosphate
CID 59087649
2-heptadecoxyethyl methyl hydrogen phosphate
CID 175908043
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651
(4-amino-4-oxobutyl) methyl hydrogen phosphate
CID 89393269
tert-butyl 2-[hydroxy-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]phosphoryl]oxyethyl hydrogen phosphate
CID 157111782
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrochloride
CID 146502612
methanamine;2-(2-methoxyethoxy)ethanamine
CID 145171254
2,2-dimethylpropyl 2-(2-methoxyethoxy)ethyl hydrogen phosphate
CID 87720487
2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate
CID 126647188

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate?
The IUPAC name of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate (CID 129040767) is 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate.
What is the SMILES notation for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate?
The canonical SMILES for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate is COP(=O)(O)OCCOCCOCCOCCN.
What is the InChIKey of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate?
The InChIKey is QWMMDEGPJMFRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO7P/c1-13-18(11,12)17-9-8-16-7-6-15-5-4-14-3-2-10/h2-10H2,1H3,(H,11,12).
What are the key properties of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate?
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate has a molecular weight of 287.25 g/mol, XLogP of -0.24, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl methyl hydrogen phosphate is sourced from PubChem (CID 129040767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).