(4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate

C18H36O9Si2 — CID 173157116

IUPAC(4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate
SMILESC=CC(=O)OCCCC([SiH3])(OC)OC.C=CC(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C9H18O5Si.C9H18O4Si/c1-5-9(10)14-7-6-8-15(11-2,12-3)13-4;1-4-8(10)13-7-5-6-9(14,11-2)12-3/h5H,1,6-8H2,2-4H3;4H,1,5-7H2,2-3,14H3
InChIKeyGNIUKZCIEDMBNR-UHFFFAOYSA-N
MW452.65 g/mol
LogP0.79
Rot. Bonds15

About (4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate

(4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate (PubChem CID 173157116) has the molecular formula C18H36O9Si2 and a molecular weight of 452.65 g/mol. Its IUPAC name is (4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate.

Molecular Properties

Compound Name(4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate
PubChem CID173157116
Molecular FormulaC18H36O9Si2
Molecular Weight452.65 g/mol
Exact Mass452.19
IUPAC Name(4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate
SMILESC=CC(=O)OCCCC([SiH3])(OC)OC.C=CC(=O)OCCC[Si](OC)(OC)OC
InChIInChI=1S/C9H18O5Si.C9H18O4Si/c1-5-9(10)14-7-6-8-15(11-2,12-3)13-4;1-4-8(10)13-7-5-6-9(14,11-2)12-3/h5H,1,6-8H2,2-4H3;4H,1,5-7H2,2-3,14H3
InChIKeyGNIUKZCIEDMBNR-UHFFFAOYSA-N
XLogP0.79
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.65
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-dimethoxy-3-silylpropyl) prop-2-enoate
CID 123621094
phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate
CID 174981814
3-tris[[ethenyl(dimethoxy)silyl]oxy]silylpropyl prop-2-enoate
CID 142752557
3-tripentoxysilylpropyl prop-2-enoate
CID 151204895
3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate
CID 171586982
3-silylpropyl 2-methylprop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate
CID 174967199
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
3-[tris(2-methylpropoxy)silyl]propyl prop-2-enoate
CID 139908438

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate?
The IUPAC name of (4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate (CID 173157116) is (4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate.
What is the SMILES notation for (4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate?
The canonical SMILES for (4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate is C=CC(=O)OCCCC([SiH3])(OC)OC.C=CC(=O)OCCC[Si](OC)(OC)OC.
What is the InChIKey of (4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate?
The InChIKey is GNIUKZCIEDMBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5Si.C9H18O4Si/c1-5-9(10)14-7-6-8-15(11-2,12-3)13-4;1-4-8(10)13-7-5-6-9(14,11-2)12-3/h5H,1,6-8H2,2-4H3;4H,1,5-7H2,2-3,14H3.
What are the key properties of (4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate?
(4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate has a molecular weight of 452.65 g/mol, XLogP of 0.79, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethoxy-4-silylbutyl) prop-2-enoate;3-trimethoxysilylpropyl prop-2-enoate is sourced from PubChem (CID 173157116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).