methyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate

C16H21O4PSi — CID 11724567

IUPACmethyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate
SMILESCOP(=O)(O)OCC[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H21O4PSi/c1-19-21(17,18)20-13-14-22(2,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,17,18)
InChIKeyFWLOUCBMUKIPFV-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.64
Rot. Bonds7

About methyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate

methyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate (PubChem CID 11724567) has the molecular formula C16H21O4PSi and a molecular weight of 336.40 g/mol. Its IUPAC name is methyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate.

Molecular Properties

Compound Namemethyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate
PubChem CID11724567
Molecular FormulaC16H21O4PSi
Molecular Weight336.40 g/mol
Exact Mass336.09
IUPAC Namemethyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate
SMILESCOP(=O)(O)OCC[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H21O4PSi/c1-19-21(17,18)20-13-14-22(2,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,17,18)
InChIKeyFWLOUCBMUKIPFV-UHFFFAOYSA-N
XLogP2.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
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 methyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate?
The IUPAC name of methyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate (CID 11724567) is methyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate.
What is the SMILES notation for methyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate?
The canonical SMILES for methyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate is COP(=O)(O)OCC[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate?
The InChIKey is FWLOUCBMUKIPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21O4PSi/c1-19-21(17,18)20-13-14-22(2,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,17,18).
What are the key properties of methyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate?
methyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate has a molecular weight of 336.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl(diphenyl)silyl]ethyl hydrogen phosphate is sourced from PubChem (CID 11724567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).