2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid

C13H18O2Si — CID 5247195

IUPAC2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid
SMILESCC(C(=O)O)=C(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C13H18O2Si/c1-10(13(14)15)12(16(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,14,15)
InChIKeyRSYIEYBYQHIYRB-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.42
Rot. Bonds3

About 2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid

2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid (PubChem CID 5247195) has the molecular formula C13H18O2Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid.

Molecular Properties

Compound Name2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid
PubChem CID5247195
Molecular FormulaC13H18O2Si
Molecular Weight234.37 g/mol
Exact Mass234.11
IUPAC Name2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid
SMILESCC(C(=O)O)=C(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C13H18O2Si/c1-10(13(14)15)12(16(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,14,15)
InChIKeyRSYIEYBYQHIYRB-UHFFFAOYSA-N
XLogP3.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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CID 66610285
2-methyl-3-phenylbut-2-enedioic acid
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CID 57324055
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
(Z)-3-acetamido-2-methyl-3-phenylprop-2-enoic acid
CID 14280418
iron;1-phenylethanone
CID 70488357
lithium 1-phenylethanone
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potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478
5-hydroxy-2-methyl-3-phenylpent-2-enoic acid
CID 70014663
ethane;1-phenylethanone;propan-2-one
CID 91456675
CID 173404741
CID 173404741

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid?
The IUPAC name of 2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid (CID 5247195) is 2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid.
What is the SMILES notation for 2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid?
The canonical SMILES for 2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid is CC(C(=O)O)=C(c1ccccc1)[Si](C)(C)C.
What is the InChIKey of 2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid?
The InChIKey is RSYIEYBYQHIYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2Si/c1-10(13(14)15)12(16(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,14,15).
What are the key properties of 2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid?
2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid has a molecular weight of 234.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-3-trimethylsilylprop-2-enoic acid is sourced from PubChem (CID 5247195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).