2-hydroxysilylethylphosphonic acid

C2H9O4PSi — CID 154176108

IUPAC2-hydroxysilylethylphosphonic acid
SMILESO=P(O)(O)CC[SiH2]O
InChIInChI=1S/C2H9O4PSi/c3-7(4,5)1-2-8-6/h6H,1-2,8H2,(H2,3,4,5)
InChIKeyHZWZNVPSSUBSRB-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.34
Rot. Bonds3

About 2-hydroxysilylethylphosphonic acid

2-hydroxysilylethylphosphonic acid (PubChem CID 154176108) has the molecular formula C2H9O4PSi and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-hydroxysilylethylphosphonic acid.

Molecular Properties

Compound Name2-hydroxysilylethylphosphonic acid
PubChem CID154176108
Molecular FormulaC2H9O4PSi
Molecular Weight156.15 g/mol
Exact Mass156.00
IUPAC Name2-hydroxysilylethylphosphonic acid
SMILESO=P(O)(O)CC[SiH2]O
InChIInChI=1S/C2H9O4PSi/c3-7(4,5)1-2-8-6/h6H,1-2,8H2,(H2,3,4,5)
InChIKeyHZWZNVPSSUBSRB-UHFFFAOYSA-N
XLogP-1.34
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-phosphonopentylphosphonic acid
CID 2773804
tetrapotassium;hydride;2-hydroxyethylphosphonic acid
CID 175031872
argon;phosphoric acid
CID 157300411
2-nitrosoethylphosphonic acid
CID 88729082
ethane-1,2-diamine;4-phosphonobutylphosphonic acid
CID 18320900
11-methoxysilylundecylphosphonic acid
CID 123212644
4-phosphonobutylphosphonic acid;propane-1,3-diamine
CID 18949670
methane;oxido-oxo-(phosphonomethyl)phosphanium
CID 23371503
3-phosphonopropanoic acid;zirconium
CID 88720720
3,3-dichloropropylphosphonic acid
CID 91996618
3,3-dimethylbutylphosphonic acid
CID 15402429
3-phosphonopropanethioic S-acid
CID 174946197

Frequently Asked Questions

What is the IUPAC name of 2-hydroxysilylethylphosphonic acid?
The IUPAC name of 2-hydroxysilylethylphosphonic acid (CID 154176108) is 2-hydroxysilylethylphosphonic acid.
What is the SMILES notation for 2-hydroxysilylethylphosphonic acid?
The canonical SMILES for 2-hydroxysilylethylphosphonic acid is O=P(O)(O)CC[SiH2]O.
What is the InChIKey of 2-hydroxysilylethylphosphonic acid?
The InChIKey is HZWZNVPSSUBSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9O4PSi/c3-7(4,5)1-2-8-6/h6H,1-2,8H2,(H2,3,4,5).
What are the key properties of 2-hydroxysilylethylphosphonic acid?
2-hydroxysilylethylphosphonic acid has a molecular weight of 156.15 g/mol, XLogP of -1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxysilylethylphosphonic acid is sourced from PubChem (CID 154176108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).