2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate

C21H32O4Si — CID 86753510

IUPAC2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)c1ccccc1.C=C(C)C(=O)OC[Si](C)(C)C
InChIInChI=1S/C13H16O2.C8H16O2Si/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-7(2)8(9)10-6-11(3,4)5/h5-9H,1H2,2-4H3;1,6H2,2-5H3
InChIKeyCLYPIDOZJMPLPT-UHFFFAOYSA-N
MW376.57 g/mol
LogP5.02
Rot. Bonds6

About 2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate

2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate (PubChem CID 86753510) has the molecular formula C21H32O4Si and a molecular weight of 376.57 g/mol. Its IUPAC name is 2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate
PubChem CID86753510
Molecular FormulaC21H32O4Si
Molecular Weight376.57 g/mol
Exact Mass376.21
IUPAC Name2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)c1ccccc1.C=C(C)C(=O)OC[Si](C)(C)C
InChIInChI=1S/C13H16O2.C8H16O2Si/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-7(2)8(9)10-6-11(3,4)5/h5-9H,1H2,2-4H3;1,6H2,2-5H3
InChIKeyCLYPIDOZJMPLPT-UHFFFAOYSA-N
XLogP5.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.57
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate
CID 118193786
(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
CID 122518351
[2-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yloxy]butan-2-yl] 2-methylprop-2-enoate
CID 138631455
acetic acid;trityl 2-methylprop-2-enoate
CID 174941434
(2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate
CID 175308811
(aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate
CID 151665095
[3-methyl-2-(2-methylprop-2-enoyloxymethyl)-2-phenylbutyl] 2-methylprop-2-enoate
CID 22918054
2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride
CID 173000095
2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
CID 157298221
[dimethoxy(phenyl)silyl]methyl 2-methylprop-2-enoate
CID 66629429
[2-[2-(2-methylprop-2-enoyloxy)-2,2-diphenylethoxy]-1,1-diphenylethyl] 2-methylprop-2-enoate
CID 174279576
[1-(4-hydroxyphenyl)-2-phenylpropan-2-yl] 2-methylprop-2-enoate
CID 145284155

Frequently Asked Questions

What is the IUPAC name of 2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate?
The IUPAC name of 2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate (CID 86753510) is 2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)c1ccccc1.C=C(C)C(=O)OC[Si](C)(C)C.
What is the InChIKey of 2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate?
The InChIKey is CLYPIDOZJMPLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2.C8H16O2Si/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11;1-7(2)8(9)10-6-11(3,4)5/h5-9H,1H2,2-4H3;1,6H2,2-5H3.
What are the key properties of 2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate?
2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate has a molecular weight of 376.57 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate is sourced from PubChem (CID 86753510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).