[dimethyl(phenyl)silyl]methyl 2-methylprop-2-enoate

C13H18O2Si — CID 22486740

IUPAC[dimethyl(phenyl)silyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H18O2Si/c1-11(2)13(14)15-10-16(3,4)12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3
InChIKeyRKFUZDIZLQCJKA-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.26
Rot. Bonds4

About [dimethyl(phenyl)silyl]methyl 2-methylprop-2-enoate

[dimethyl(phenyl)silyl]methyl 2-methylprop-2-enoate (PubChem CID 22486740) has the molecular formula C13H18O2Si and a molecular weight of 234.37 g/mol. Its IUPAC name is [dimethyl(phenyl)silyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[dimethyl(phenyl)silyl]methyl 2-methylprop-2-enoate
PubChem CID22486740
Molecular FormulaC13H18O2Si
Molecular Weight234.37 g/mol
Exact Mass234.11
IUPAC Name[dimethyl(phenyl)silyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H18O2Si/c1-11(2)13(14)15-10-16(3,4)12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3
InChIKeyRKFUZDIZLQCJKA-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of [dimethyl(phenyl)silyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [dimethyl(phenyl)silyl]methyl 2-methylprop-2-enoate (CID 22486740) is [dimethyl(phenyl)silyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [dimethyl(phenyl)silyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [dimethyl(phenyl)silyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC[Si](C)(C)c1ccccc1.
What is the InChIKey of [dimethyl(phenyl)silyl]methyl 2-methylprop-2-enoate?
The InChIKey is RKFUZDIZLQCJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2Si/c1-11(2)13(14)15-10-16(3,4)12-8-6-5-7-9-12/h5-9H,1,10H2,2-4H3.
What are the key properties of [dimethyl(phenyl)silyl]methyl 2-methylprop-2-enoate?
[dimethyl(phenyl)silyl]methyl 2-methylprop-2-enoate has a molecular weight of 234.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(phenyl)silyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 22486740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).