benzyl 2-trimethylsilylprop-2-enoate

C13H18O2Si — CID 14946722

IUPACbenzyl 2-trimethylsilylprop-2-enoate
SMILESC=C(C(=O)OCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C13H18O2Si/c1-11(16(2,3)4)13(14)15-10-12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3
InChIKeyKFPPJVLMAHBXPM-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.16
Rot. Bonds4

About benzyl 2-trimethylsilylprop-2-enoate

benzyl 2-trimethylsilylprop-2-enoate (PubChem CID 14946722) has the molecular formula C13H18O2Si and a molecular weight of 234.37 g/mol. Its IUPAC name is benzyl 2-trimethylsilylprop-2-enoate.

Molecular Properties

Compound Namebenzyl 2-trimethylsilylprop-2-enoate
PubChem CID14946722
Molecular FormulaC13H18O2Si
Molecular Weight234.37 g/mol
Exact Mass234.11
IUPAC Namebenzyl 2-trimethylsilylprop-2-enoate
SMILESC=C(C(=O)OCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C13H18O2Si/c1-11(16(2,3)4)13(14)15-10-12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3
InChIKeyKFPPJVLMAHBXPM-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.16
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-triethylsilylprop-2-enoate
CID 139634273
3-O-benzyl 1-O-ethyl 2-methylidenepropanedioate
CID 118947180
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
benzyl 2-methylprop-2-enoate;butane
CID 174907722
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
benzyl 3-[tert-butyl(dimethyl)silyl]-2-diazobut-3-enoate
CID 102450192
benzyl 2-(2-methoxyethoxy)prop-2-enoate
CID 141018088
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-trimethylsilylprop-2-enoate?
The IUPAC name of benzyl 2-trimethylsilylprop-2-enoate (CID 14946722) is benzyl 2-trimethylsilylprop-2-enoate.
What is the SMILES notation for benzyl 2-trimethylsilylprop-2-enoate?
The canonical SMILES for benzyl 2-trimethylsilylprop-2-enoate is C=C(C(=O)OCc1ccccc1)[Si](C)(C)C.
What is the InChIKey of benzyl 2-trimethylsilylprop-2-enoate?
The InChIKey is KFPPJVLMAHBXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2Si/c1-11(16(2,3)4)13(14)15-10-12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3.
What are the key properties of benzyl 2-trimethylsilylprop-2-enoate?
benzyl 2-trimethylsilylprop-2-enoate has a molecular weight of 234.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-trimethylsilylprop-2-enoate is sourced from PubChem (CID 14946722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).