3-[methyl(diphenyl)silyl]propyl but-2-enoate

C20H24O2Si — CID 69118200

IUPAC3-[methyl(diphenyl)silyl]propyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O2Si/c1-3-11-20(21)22-16-10-17-23(2,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h3-9,11-15H,10,16-17H2,1-2H3
InChIKeyRMOZNUPHDCYUKW-UHFFFAOYSA-N
MW324.50 g/mol
LogP3.39
Rot. Bonds7

About 3-[methyl(diphenyl)silyl]propyl but-2-enoate

3-[methyl(diphenyl)silyl]propyl but-2-enoate (PubChem CID 69118200) has the molecular formula C20H24O2Si and a molecular weight of 324.50 g/mol. Its IUPAC name is 3-[methyl(diphenyl)silyl]propyl but-2-enoate.

Molecular Properties

Compound Name3-[methyl(diphenyl)silyl]propyl but-2-enoate
PubChem CID69118200
Molecular FormulaC20H24O2Si
Molecular Weight324.50 g/mol
Exact Mass324.15
IUPAC Name3-[methyl(diphenyl)silyl]propyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O2Si/c1-3-11-20(21)22-16-10-17-23(2,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h3-9,11-15H,10,16-17H2,1-2H3
InChIKeyRMOZNUPHDCYUKW-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[dibutoxy(phenyl)silyl]propyl but-2-enoate
CID 67842940
2-(4-but-2-enoyloxybutoxycarbonyl)benzoic acid
CID 159131778
2-phenylethyl (E)-but-2-enoate
CID 5354304
3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate
CID 57318763
3-[bis[[ethenyl(dimethyl)silyl]oxy]-methylsilyl]propyl but-2-enoate
CID 57240407
3-tri(propan-2-yl)silylpropyl but-2-enoate
CID 91430273
hydroxysilane;3-trimethoxysilylpropyl but-2-enoate
CID 174908985
4-[fluoro(dimethyl)silyl]butyl but-2-enoate
CID 174106106
3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate
CID 141003620
benzyl (E)-but-2-enoate
CID 5356259
3-triacetyloxysilylpropyl but-2-enoate
CID 57008855
5-[chloro(dimethyl)silyl]pentyl but-2-enoate
CID 174106073

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(diphenyl)silyl]propyl but-2-enoate?
The IUPAC name of 3-[methyl(diphenyl)silyl]propyl but-2-enoate (CID 69118200) is 3-[methyl(diphenyl)silyl]propyl but-2-enoate.
What is the SMILES notation for 3-[methyl(diphenyl)silyl]propyl but-2-enoate?
The canonical SMILES for 3-[methyl(diphenyl)silyl]propyl but-2-enoate is CC=CC(=O)OCCC[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[methyl(diphenyl)silyl]propyl but-2-enoate?
The InChIKey is RMOZNUPHDCYUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2Si/c1-3-11-20(21)22-16-10-17-23(2,18-12-6-4-7-13-18)19-14-8-5-9-15-19/h3-9,11-15H,10,16-17H2,1-2H3.
What are the key properties of 3-[methyl(diphenyl)silyl]propyl but-2-enoate?
3-[methyl(diphenyl)silyl]propyl but-2-enoate has a molecular weight of 324.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(diphenyl)silyl]propyl but-2-enoate is sourced from PubChem (CID 69118200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).