benzyl 2-triethylsilylprop-2-enoate

C16H24O2Si — CID 139634273

IUPACbenzyl 2-triethylsilylprop-2-enoate
SMILESC=C(C(=O)OCc1ccccc1)[Si](CC)(CC)CC
InChIInChI=1S/C16H24O2Si/c1-5-19(6-2,7-3)14(4)16(17)18-13-15-11-9-8-10-12-15/h8-12H,4-7,13H2,1-3H3
InChIKeyOTAROJSCZKQMAL-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.33
Rot. Bonds7

About benzyl 2-triethylsilylprop-2-enoate

benzyl 2-triethylsilylprop-2-enoate (PubChem CID 139634273) has the molecular formula C16H24O2Si and a molecular weight of 276.45 g/mol. Its IUPAC name is benzyl 2-triethylsilylprop-2-enoate.

Molecular Properties

Compound Namebenzyl 2-triethylsilylprop-2-enoate
PubChem CID139634273
Molecular FormulaC16H24O2Si
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Namebenzyl 2-triethylsilylprop-2-enoate
SMILESC=C(C(=O)OCc1ccccc1)[Si](CC)(CC)CC
InChIInChI=1S/C16H24O2Si/c1-5-19(6-2,7-3)14(4)16(17)18-13-15-11-9-8-10-12-15/h8-12H,4-7,13H2,1-3H3
InChIKeyOTAROJSCZKQMAL-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-trimethylsilylprop-2-enoate
CID 14946722
3-O-benzyl 1-O-ethyl 2-methylidenepropanedioate
CID 118947180
benzyl 2-methylprop-2-enoate;butane
CID 174907722
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
benzyl 2-(2-methoxyethoxy)prop-2-enoate
CID 141018088
benzyl 3-(dimethylamino)-2-methylidenebutanoate chloride
CID 22178508
dibenzyl (E)-2-methyl-4-methylidenepent-2-enedioate
CID 166766307
benzyl 3-hydroxy-2-(triphenyl-λ5-phosphanylidene)but-3-enoate
CID 101206665
benzyl 2-methylprop-2-enoate;prop-2-enamide
CID 174871125
2-oxo-2-phenylmethoxyethaneperoxoic acid
CID 88728266
2-phenylmethoxyprop-2-enoic acid
CID 14954752

Frequently Asked Questions

What is the IUPAC name of benzyl 2-triethylsilylprop-2-enoate?
The IUPAC name of benzyl 2-triethylsilylprop-2-enoate (CID 139634273) is benzyl 2-triethylsilylprop-2-enoate.
What is the SMILES notation for benzyl 2-triethylsilylprop-2-enoate?
The canonical SMILES for benzyl 2-triethylsilylprop-2-enoate is C=C(C(=O)OCc1ccccc1)[Si](CC)(CC)CC.
What is the InChIKey of benzyl 2-triethylsilylprop-2-enoate?
The InChIKey is OTAROJSCZKQMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2Si/c1-5-19(6-2,7-3)14(4)16(17)18-13-15-11-9-8-10-12-15/h8-12H,4-7,13H2,1-3H3.
What are the key properties of benzyl 2-triethylsilylprop-2-enoate?
benzyl 2-triethylsilylprop-2-enoate has a molecular weight of 276.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-triethylsilylprop-2-enoate is sourced from PubChem (CID 139634273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).