2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate

C5H13O10P — CID 175366577

IUPAC2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate
SMILESCOCCOOOOOCCOP(=O)(O)O
InChIInChI=1S/C5H13O10P/c1-9-2-3-10-13-15-14-11-4-5-12-16(6,7)8/h2-5H2,1H3,(H2,6,7,8)
InChIKeyNXOFTEALNIKFJL-UHFFFAOYSA-N
MW264.12 g/mol
LogP-0.51
Rot. Bonds11

About 2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate

2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate (PubChem CID 175366577) has the molecular formula C5H13O10P and a molecular weight of 264.12 g/mol. Its IUPAC name is 2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate
PubChem CID175366577
Molecular FormulaC5H13O10P
Molecular Weight264.12 g/mol
Exact Mass264.02
IUPAC Name2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate
SMILESCOCCOOOOOCCOP(=O)(O)O
InChIInChI=1S/C5H13O10P/c1-9-2-3-10-13-15-14-11-4-5-12-16(6,7)8/h2-5H2,1H3,(H2,6,7,8)
InChIKeyNXOFTEALNIKFJL-UHFFFAOYSA-N
XLogP-0.51
TPSA122.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(2-phosphonooxyethyl) carbonate
CID 87299335
2-(2-methoxyethoxy)ethyl methyl hydrogen phosphate
CID 58743767
methyl 2-methyl-3-(2-phosphonooxyethoxy)prop-2-enoate
CID 175087282
propyl dihydrogen phosphate;urea
CID 88818408
[hydroxy(2-methoxyethoxy)phosphoryl] phosphono hydrogen phosphate
CID 151699028
2-methoxyethyl phosphonooxymethyl carbonate
CID 175887543
2-[2-[2-[2-[2-[2-[hydroxy-[2-[2-[2-[2-[2-(2-phosphonooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-methylphosphinic acid
CID 174196734
2-[2-(2-chloroethoxy)ethoxy]ethyl dihydrogen phosphate
CID 166607850
2-[2-(2-phosphonooxyethoxy)ethoxy]propanoic acid
CID 172703479
1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethane
CID 118566183
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate?
The IUPAC name of 2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate (CID 175366577) is 2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate.
What is the SMILES notation for 2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate?
The canonical SMILES for 2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate is COCCOOOOOCCOP(=O)(O)O.
What is the InChIKey of 2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate?
The InChIKey is NXOFTEALNIKFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O10P/c1-9-2-3-10-13-15-14-11-4-5-12-16(6,7)8/h2-5H2,1H3,(H2,6,7,8).
What are the key properties of 2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate?
2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate has a molecular weight of 264.12 g/mol, XLogP of -0.51, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxyperoxyperoxy)ethyl dihydrogen phosphate is sourced from PubChem (CID 175366577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).