(5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate

C11H21O5PSi — CID 19019864

IUPAC(5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate
SMILESCC[Si](CC)(CC)c1cc(COP(=O)(O)O)co1
InChIInChI=1S/C11H21O5PSi/c1-4-18(5-2,6-3)11-7-10(8-15-11)9-16-17(12,13)14/h7-8H,4-6,9H2,1-3H3,(H2,12,13,14)
InChIKeyBXZPMHFMIGGLCN-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.60
Rot. Bonds7

About (5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate

(5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate (PubChem CID 19019864) has the molecular formula C11H21O5PSi and a molecular weight of 292.34 g/mol. Its IUPAC name is (5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate.

Molecular Properties

Compound Name(5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate
PubChem CID19019864
Molecular FormulaC11H21O5PSi
Molecular Weight292.34 g/mol
Exact Mass292.09
IUPAC Name(5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate
SMILESCC[Si](CC)(CC)c1cc(COP(=O)(O)O)co1
InChIInChI=1S/C11H21O5PSi/c1-4-18(5-2,6-3)11-7-10(8-15-11)9-16-17(12,13)14/h7-8H,4-6,9H2,1-3H3,(H2,12,13,14)
InChIKeyBXZPMHFMIGGLCN-UHFFFAOYSA-N
XLogP2.60
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate?
The IUPAC name of (5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate (CID 19019864) is (5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate.
What is the SMILES notation for (5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate?
The canonical SMILES for (5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate is CC[Si](CC)(CC)c1cc(COP(=O)(O)O)co1.
What is the InChIKey of (5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate?
The InChIKey is BXZPMHFMIGGLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O5PSi/c1-4-18(5-2,6-3)11-7-10(8-15-11)9-16-17(12,13)14/h7-8H,4-6,9H2,1-3H3,(H2,12,13,14).
What are the key properties of (5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate?
(5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate has a molecular weight of 292.34 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-triethylsilylfuran-3-yl)methyl dihydrogen phosphate is sourced from PubChem (CID 19019864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).