methyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate

C19H20O3Si — CID 122397071

IUPACmethyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate
SMILESC/C=C/O[Si](/C=C/C(=O)OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O3Si/c1-3-15-22-23(16-14-19(20)21-2,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h3-16H,1-2H3/b15-3+,16-14+
InChIKeyQXZPQLDGBQCEHG-RQMORVFTSA-N
MW324.45 g/mol
LogP2.56
Rot. Bonds6

About methyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate

methyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate (PubChem CID 122397071) has the molecular formula C19H20O3Si and a molecular weight of 324.45 g/mol. Its IUPAC name is methyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate
PubChem CID122397071
Molecular FormulaC19H20O3Si
Molecular Weight324.45 g/mol
Exact Mass324.12
IUPAC Namemethyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate
SMILESC/C=C/O[Si](/C=C/C(=O)OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20O3Si/c1-3-15-22-23(16-14-19(20)21-2,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h3-16H,1-2H3/b15-3+,16-14+
InChIKeyQXZPQLDGBQCEHG-RQMORVFTSA-N
XLogP2.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]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

methyl 3-phenoxyprop-2-enoate
CID 74041310
ethyl (E)-3-[[(2E,4E)-hexa-2,4-dienoxy]-diphenylsilyl]prop-2-enoate
CID 10714696
3-methylbut-2-enoic acid;methyl 3-phenylprop-2-enoate
CID 70180890
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
(E)-3-[dimethyl(phenyl)silyl]prop-2-enoic acid
CID 10104447
[phenyl-di(propan-2-yl)silyl] but-2-enoate
CID 175274232
methyl (E)-3-diphenylphosphanylprop-2-enoate
CID 15878850
methyl (E)-4,5-dioxo-5-phenylpent-2-enoate
CID 166068266
methyl (E)-3-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxiran-2-yl]prop-2-enoate
CID 15807828
methyl (2E,4E,6Z)-7-di(propan-2-yloxy)boranyl-6-phenylhepta-2,4,6-trienoate
CID 149270594
methyl (E,5S)-5-[dimethyl(phenyl)silyl]-7-oxohept-2-enoate
CID 11011733
dimethyl (2E,4E)-3-phenylhexa-2,4-dienedioate
CID 132558709

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate (CID 122397071) is methyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate is C/C=C/O[Si](/C=C/C(=O)OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate?
The InChIKey is QXZPQLDGBQCEHG-RQMORVFTSA-N. The full InChI is InChI=1S/C19H20O3Si/c1-3-15-22-23(16-14-19(20)21-2,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h3-16H,1-2H3/b15-3+,16-14+.
What are the key properties of methyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate?
methyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate has a molecular weight of 324.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[diphenyl-[(E)-prop-1-enoxy]silyl]prop-2-enoate is sourced from PubChem (CID 122397071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).