[dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate

C12H16O4Si — CID 175667784

IUPAC[dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate
SMILESCO[Si](C)(OC)OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H16O4Si/c1-14-17(3,15-2)16-12(13)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
InChIKeyYNUTWKZDTMXESZ-MDZDMXLPSA-N
MW252.34 g/mol
LogP2.10
Rot. Bonds5

About [dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate

[dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate (PubChem CID 175667784) has the molecular formula C12H16O4Si and a molecular weight of 252.34 g/mol. Its IUPAC name is [dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate
PubChem CID175667784
Molecular FormulaC12H16O4Si
Molecular Weight252.34 g/mol
Exact Mass252.08
IUPAC Name[dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate
SMILESCO[Si](C)(OC)OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H16O4Si/c1-14-17(3,15-2)16-12(13)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
InChIKeyYNUTWKZDTMXESZ-MDZDMXLPSA-N
XLogP2.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [dimethoxy(methyl)silyl] (E)-3-phenylprop-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

trimethoxysilyl (E)-3-phenylprop-2-enoate
CID 68833858
dimethylamino (E)-3-phenylprop-2-enoate
CID 174325231
tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate
CID 11174213
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
trimethylsilyl (E)-3-phenylprop-2-eneperoxoate
CID 22561457
3-methylbut-2-enoic acid;methyl 3-phenylprop-2-enoate
CID 70180890
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
acetyl 3-phenylprop-2-enoate
CID 57206996
amino 3-phenylprop-2-enoate
CID 67189797
lanthanum;(E)-3-phenylprop-2-eneperoxoic acid
CID 122589716
dimethyl benzene-1,2-dicarboxylate;methyl (E)-3-phenylprop-2-enoate
CID 19966781
dimethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate;ethane;bis(methyl 3-phenylprop-2-enoate)
CID 162035860

Frequently Asked Questions

What is the IUPAC name of [dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate (CID 175667784) is [dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate is CO[Si](C)(OC)OC(=O)/C=C/c1ccccc1.
What is the InChIKey of [dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate?
The InChIKey is YNUTWKZDTMXESZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H16O4Si/c1-14-17(3,15-2)16-12(13)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+.
What are the key properties of [dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate?
[dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate has a molecular weight of 252.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 175667784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).