phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate

C9H21O9PSi — CID 174981814

IUPACphosphoric acid;3-trimethoxysilylpropyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](OC)(OC)OC.O=P(O)(O)O
InChIInChI=1S/C9H18O5Si.H3O4P/c1-5-9(10)14-7-6-8-15(11-2,12-3)13-4;1-5(2,3)4/h5H,1,6-8H2,2-4H3;(H3,1,2,3,4)
InChIKeyVKNYLJWABPITIP-UHFFFAOYSA-N
MW332.32 g/mol
LogP0.06
Rot. Bonds8

About phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate

phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate (PubChem CID 174981814) has the molecular formula C9H21O9PSi and a molecular weight of 332.32 g/mol. Its IUPAC name is phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate.

Molecular Properties

Compound Namephosphoric acid;3-trimethoxysilylpropyl prop-2-enoate
PubChem CID174981814
Molecular FormulaC9H21O9PSi
Molecular Weight332.32 g/mol
Exact Mass332.07
IUPAC Namephosphoric acid;3-trimethoxysilylpropyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](OC)(OC)OC.O=P(O)(O)O
InChIInChI=1S/C9H18O5Si.H3O4P/c1-5-9(10)14-7-6-8-15(11-2,12-3)13-4;1-5(2,3)4/h5H,1,6-8H2,2-4H3;(H3,1,2,3,4)
InChIKeyVKNYLJWABPITIP-UHFFFAOYSA-N
XLogP0.06
TPSA131.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769
3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate
CID 171586982
3-tris[[ethenyl(dimethoxy)silyl]oxy]silylpropyl prop-2-enoate
CID 142752557
(4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate
CID 173157116
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
3-silylpropyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate
CID 174967199
3-[diethyl(methoxy)silyl]propyl prop-2-enoate
CID 18331018
3-[tris(3-prop-2-enoyloxypropyl)silyl]propyl prop-2-enoate
CID 140784915
4-methoxybutyl prop-2-enoate
CID 22321356
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
2-[3-[ethoxy(dimethoxy)silyl]propoxy]ethyl prop-2-enoate
CID 141313483

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate?
The IUPAC name of phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate (CID 174981814) is phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate.
What is the SMILES notation for phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate?
The canonical SMILES for phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate is C=CC(=O)OCCC[Si](OC)(OC)OC.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate?
The InChIKey is VKNYLJWABPITIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5Si.H3O4P/c1-5-9(10)14-7-6-8-15(11-2,12-3)13-4;1-5(2,3)4/h5H,1,6-8H2,2-4H3;(H3,1,2,3,4).
What are the key properties of phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate?
phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate has a molecular weight of 332.32 g/mol, XLogP of 0.06, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate is sourced from PubChem (CID 174981814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).