ethoxysilyl dihydrogen phosphate

C2H9O5PSi — CID 174868661

IUPACethoxysilyl dihydrogen phosphate
SMILESCCO[SiH2]OP(=O)(O)O
InChIInChI=1S/C2H9O5PSi/c1-2-6-9-7-8(3,4)5/h2,9H2,1H3,(H2,3,4,5)
InChIKeyNEHPUCJGYAXONF-UHFFFAOYSA-N
MW172.15 g/mol
LogP-0.87
Rot. Bonds4

About ethoxysilyl dihydrogen phosphate

ethoxysilyl dihydrogen phosphate (PubChem CID 174868661) has the molecular formula C2H9O5PSi and a molecular weight of 172.15 g/mol. Its IUPAC name is ethoxysilyl dihydrogen phosphate.

Molecular Properties

Compound Nameethoxysilyl dihydrogen phosphate
PubChem CID174868661
Molecular FormulaC2H9O5PSi
Molecular Weight172.15 g/mol
Exact Mass172.00
IUPAC Nameethoxysilyl dihydrogen phosphate
SMILESCCO[SiH2]OP(=O)(O)O
InChIInChI=1S/C2H9O5PSi/c1-2-6-9-7-8(3,4)5/h2,9H2,1H3,(H2,3,4,5)
InChIKeyNEHPUCJGYAXONF-UHFFFAOYSA-N
XLogP-0.87
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
alumane;ethyl dihydrogen phosphate
CID 173113989
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
CID 87495286
CID 87495286
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
bis(ethoxysilyl) (Z)-but-2-enedioate
CID 175607217
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
diethoxyphosphanylphosphonic acid
CID 159046031
ethanol;ethoxy dihydrogen phosphate
CID 87186202
2-diethoxyphosphorylethanesulfonic acid
CID 14904485
diethyl hydrogen phosphate;scandium
CID 54607585
CID 54611578
CID 54611578

Frequently Asked Questions

What is the IUPAC name of ethoxysilyl dihydrogen phosphate?
The IUPAC name of ethoxysilyl dihydrogen phosphate (CID 174868661) is ethoxysilyl dihydrogen phosphate.
What is the SMILES notation for ethoxysilyl dihydrogen phosphate?
The canonical SMILES for ethoxysilyl dihydrogen phosphate is CCO[SiH2]OP(=O)(O)O.
What is the InChIKey of ethoxysilyl dihydrogen phosphate?
The InChIKey is NEHPUCJGYAXONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9O5PSi/c1-2-6-9-7-8(3,4)5/h2,9H2,1H3,(H2,3,4,5).
What are the key properties of ethoxysilyl dihydrogen phosphate?
ethoxysilyl dihydrogen phosphate has a molecular weight of 172.15 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxysilyl dihydrogen phosphate is sourced from PubChem (CID 174868661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).