3-trimethoxysilylpropyl prop-2-enoate;hydrate

C9H20O6Si — CID 141437630

IUPAC3-trimethoxysilylpropyl prop-2-enoate;hydrate
SMILESC=CC(=O)OCCC[Si](OC)(OC)OC.O
InChIInChI=1S/C9H18O5Si.H2O/c1-5-9(10)14-7-6-8-15(11-2,12-3)13-4;/h5H,1,6-8H2,2-4H3;1H2
InChIKeyXADNZBCJRTYZGK-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.16
Rot. Bonds8

About 3-trimethoxysilylpropyl prop-2-enoate;hydrate

3-trimethoxysilylpropyl prop-2-enoate;hydrate (PubChem CID 141437630) has the molecular formula C9H20O6Si and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-trimethoxysilylpropyl prop-2-enoate;hydrate.

Molecular Properties

Compound Name3-trimethoxysilylpropyl prop-2-enoate;hydrate
PubChem CID141437630
Molecular FormulaC9H20O6Si
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name3-trimethoxysilylpropyl prop-2-enoate;hydrate
SMILESC=CC(=O)OCCC[Si](OC)(OC)OC.O
InChIInChI=1S/C9H18O5Si.H2O/c1-5-9(10)14-7-6-8-15(11-2,12-3)13-4;/h5H,1,6-8H2,2-4H3;1H2
InChIKeyXADNZBCJRTYZGK-UHFFFAOYSA-N
XLogP0.16
TPSA85.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.16
H-Bond Donors ≤ 50
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769
phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate
CID 174981814
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
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
2-[2-(2-trimethoxysilylethoxy)ethoxy]ethyl prop-2-enoate
CID 171586967

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropyl prop-2-enoate;hydrate?
The IUPAC name of 3-trimethoxysilylpropyl prop-2-enoate;hydrate (CID 141437630) is 3-trimethoxysilylpropyl prop-2-enoate;hydrate.
What is the SMILES notation for 3-trimethoxysilylpropyl prop-2-enoate;hydrate?
The canonical SMILES for 3-trimethoxysilylpropyl prop-2-enoate;hydrate is C=CC(=O)OCCC[Si](OC)(OC)OC.O.
What is the InChIKey of 3-trimethoxysilylpropyl prop-2-enoate;hydrate?
The InChIKey is XADNZBCJRTYZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5Si.H2O/c1-5-9(10)14-7-6-8-15(11-2,12-3)13-4;/h5H,1,6-8H2,2-4H3;1H2.
What are the key properties of 3-trimethoxysilylpropyl prop-2-enoate;hydrate?
3-trimethoxysilylpropyl prop-2-enoate;hydrate has a molecular weight of 252.34 g/mol, XLogP of 0.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropyl prop-2-enoate;hydrate is sourced from PubChem (CID 141437630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).