ethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate

C13H21O7PSi — CID 174774176

IUPACethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate
SMILESC=C[Si](OC)(OC)OC.O=P(O)(O)OC=Cc1ccccc1
InChIInChI=1S/C8H9O4P.C5H12O3Si/c9-13(10,11)12-7-6-8-4-2-1-3-5-8;1-5-9(6-2,7-3)8-4/h1-7H,(H2,9,10,11);5H,1H2,2-4H3
InChIKeyRTUMLRSSGJKFNU-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.36
Rot. Bonds7

About ethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate

ethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate (PubChem CID 174774176) has the molecular formula C13H21O7PSi and a molecular weight of 348.36 g/mol. Its IUPAC name is ethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate.

Molecular Properties

Compound Nameethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate
PubChem CID174774176
Molecular FormulaC13H21O7PSi
Molecular Weight348.36 g/mol
Exact Mass348.08
IUPAC Nameethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate
SMILESC=C[Si](OC)(OC)OC.O=P(O)(O)OC=Cc1ccccc1
InChIInChI=1S/C8H9O4P.C5H12O3Si/c9-13(10,11)12-7-6-8-4-2-1-3-5-8;1-5-9(6-2,7-3)8-4/h1-7H,(H2,9,10,11);5H,1H2,2-4H3
InChIKeyRTUMLRSSGJKFNU-UHFFFAOYSA-N
XLogP2.36
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-aminoethanol;tris(2-phenylethenyl) phosphate
CID 159729962
ethenylphosphonic acid;styrene
CID 67019440
calcium;hydride;2-phenylethenyl prop-2-enoate
CID 174470011
2-methoxyethenylbenzene;triazine
CID 161264101
2-phenylethenyl(propan-2-yl)phosphinic acid
CID 67362871
prop-1-en-2-ylphosphonic acid;styrene
CID 160761452
benzaldehyde;dimethyl hydrogen phosphate
CID 174541999
2-phenylethenyl prop-2-enoate;silyloxysilane
CID 173165185
(E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol
CID 13196807
trimethoxysilyl (E)-3-phenylprop-2-enoate
CID 68833858
acetaldehyde;buta-1,3-dienylbenzene
CID 173416032
1,3-dimethyl-5-(2-phenylethenoxy)benzene
CID 71429052

Frequently Asked Questions

What is the IUPAC name of ethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate?
The IUPAC name of ethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate (CID 174774176) is ethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate.
What is the SMILES notation for ethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate?
The canonical SMILES for ethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate is C=C[Si](OC)(OC)OC.O=P(O)(O)OC=Cc1ccccc1.
What is the InChIKey of ethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate?
The InChIKey is RTUMLRSSGJKFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O4P.C5H12O3Si/c9-13(10,11)12-7-6-8-4-2-1-3-5-8;1-5-9(6-2,7-3)8-4/h1-7H,(H2,9,10,11);5H,1H2,2-4H3.
What are the key properties of ethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate?
ethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate has a molecular weight of 348.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate is sourced from PubChem (CID 174774176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).