trimethoxysilyl (E)-3-phenylprop-2-enoate

C12H16O5Si — CID 68833858

IUPACtrimethoxysilyl (E)-3-phenylprop-2-enoate
SMILESCO[Si](OC)(OC)OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H16O5Si/c1-14-18(15-2,16-3)17-12(13)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
InChIKeyJEJSFQUNKZEYHX-MDZDMXLPSA-N
MW268.34 g/mol
LogP1.62
Rot. Bonds6

About trimethoxysilyl (E)-3-phenylprop-2-enoate

trimethoxysilyl (E)-3-phenylprop-2-enoate (PubChem CID 68833858) has the molecular formula C12H16O5Si and a molecular weight of 268.34 g/mol. Its IUPAC name is trimethoxysilyl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Nametrimethoxysilyl (E)-3-phenylprop-2-enoate
PubChem CID68833858
Molecular FormulaC12H16O5Si
Molecular Weight268.34 g/mol
Exact Mass268.08
IUPAC Nametrimethoxysilyl (E)-3-phenylprop-2-enoate
SMILESCO[Si](OC)(OC)OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H16O5Si/c1-14-18(15-2,16-3)17-12(13)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+
InChIKeyJEJSFQUNKZEYHX-MDZDMXLPSA-N
XLogP1.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze trimethoxysilyl (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

[dimethoxy(methyl)silyl] (E)-3-phenylprop-2-enoate
CID 175667784
tri(propan-2-yl)silyl (E)-3-phenylprop-2-enoate
CID 11174213
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
dimethylamino (E)-3-phenylprop-2-enoate
CID 174325231
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
acetyl 3-phenylprop-2-enoate
CID 57206996
trimethylsilyl (E)-3-phenylprop-2-eneperoxoate
CID 22561457
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
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
2-phenylethenyl 3-phenylprop-2-enoate
CID 56982570

Frequently Asked Questions

What is the IUPAC name of trimethoxysilyl (E)-3-phenylprop-2-enoate?
The IUPAC name of trimethoxysilyl (E)-3-phenylprop-2-enoate (CID 68833858) is trimethoxysilyl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for trimethoxysilyl (E)-3-phenylprop-2-enoate?
The canonical SMILES for trimethoxysilyl (E)-3-phenylprop-2-enoate is CO[Si](OC)(OC)OC(=O)/C=C/c1ccccc1.
What is the InChIKey of trimethoxysilyl (E)-3-phenylprop-2-enoate?
The InChIKey is JEJSFQUNKZEYHX-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H16O5Si/c1-14-18(15-2,16-3)17-12(13)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+.
What are the key properties of trimethoxysilyl (E)-3-phenylprop-2-enoate?
trimethoxysilyl (E)-3-phenylprop-2-enoate has a molecular weight of 268.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxysilyl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 68833858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).