4-dihydroxysilylpentoxy-oxido-oxophosphanium

C5H13O5PSi — CID 157337187

IUPAC4-dihydroxysilylpentoxy-oxido-oxophosphanium
SMILESCC(CCCO[P+](=O)[O-])[SiH](O)O
InChIInChI=1S/C5H13O5PSi/c1-5(12(8)9)3-2-4-10-11(6)7/h5,8-9,12H,2-4H2,1H3
InChIKeyTZEHCZIJMMTMBH-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.60
Rot. Bonds6

About 4-dihydroxysilylpentoxy-oxido-oxophosphanium

4-dihydroxysilylpentoxy-oxido-oxophosphanium (PubChem CID 157337187) has the molecular formula C5H13O5PSi and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-dihydroxysilylpentoxy-oxido-oxophosphanium.

Molecular Properties

Compound Name4-dihydroxysilylpentoxy-oxido-oxophosphanium
PubChem CID157337187
Molecular FormulaC5H13O5PSi
Molecular Weight212.21 g/mol
Exact Mass212.03
IUPAC Name4-dihydroxysilylpentoxy-oxido-oxophosphanium
SMILESCC(CCCO[P+](=O)[O-])[SiH](O)O
InChIInChI=1S/C5H13O5PSi/c1-5(12(8)9)3-2-4-10-11(6)7/h5,8-9,12H,2-4H2,1H3
InChIKeyTZEHCZIJMMTMBH-UHFFFAOYSA-N
XLogP-0.60
TPSA89.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-dihydroxysilylpentoxy-oxido-oxophosphanium?
The IUPAC name of 4-dihydroxysilylpentoxy-oxido-oxophosphanium (CID 157337187) is 4-dihydroxysilylpentoxy-oxido-oxophosphanium.
What is the SMILES notation for 4-dihydroxysilylpentoxy-oxido-oxophosphanium?
The canonical SMILES for 4-dihydroxysilylpentoxy-oxido-oxophosphanium is CC(CCCO[P+](=O)[O-])[SiH](O)O.
What is the InChIKey of 4-dihydroxysilylpentoxy-oxido-oxophosphanium?
The InChIKey is TZEHCZIJMMTMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O5PSi/c1-5(12(8)9)3-2-4-10-11(6)7/h5,8-9,12H,2-4H2,1H3.
What are the key properties of 4-dihydroxysilylpentoxy-oxido-oxophosphanium?
4-dihydroxysilylpentoxy-oxido-oxophosphanium has a molecular weight of 212.21 g/mol, XLogP of -0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dihydroxysilylpentoxy-oxido-oxophosphanium is sourced from PubChem (CID 157337187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).