3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid

C14H20O2Si — CID 68785004

IUPAC3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid
SMILESCC(=C[Si](C)(C)CCc1ccccc1)C(=O)O
InChIInChI=1S/C14H20O2Si/c1-12(14(15)16)11-17(2,3)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,15,16)
InChIKeyPSQXFLWXMNPMBX-UHFFFAOYSA-N
MW248.40 g/mol
LogP3.51
Rot. Bonds5

About 3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid

3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid (PubChem CID 68785004) has the molecular formula C14H20O2Si and a molecular weight of 248.40 g/mol. Its IUPAC name is 3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid
PubChem CID68785004
Molecular FormulaC14H20O2Si
Molecular Weight248.40 g/mol
Exact Mass248.12
IUPAC Name3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid
SMILESCC(=C[Si](C)(C)CCc1ccccc1)C(=O)O
InChIInChI=1S/C14H20O2Si/c1-12(14(15)16)11-17(2,3)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,15,16)
InChIKeyPSQXFLWXMNPMBX-UHFFFAOYSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 53.51
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

5-[dimethyl(2-phenylethyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid
CID 68788821
[acetyloxy-methyl-(2-phenylethyl)silyl] acetate
CID 54139822
5-[dimethyl(3-phenylpropyl)silyl]oxy-2-methyl-5-oxopent-2-enoic acid
CID 68786757
(E)-2-methyl-8-phenyloct-2-enoic acid
CID 66912442
(E)-2-methylbut-2-enedioic acid;3-phenylpropanoic acid
CID 157241211
4-phenylbutan-2-one;prop-1-ene
CID 166128425
[(E)-4-phenyl-1-trimethylsilylbut-1-enyl] acetate
CID 101400773
2-phenylethyl acetate
CID 7654
2-[[[dimethyl(2-phenylethyl)silyl]amino]-dimethylsilyl]ethylbenzene
CID 12890431
2,4-dimethyl-5-phenylpent-2-enoic acid
CID 76793021
acetic acid;2-phenylethyl acetate
CID 174791962
acetamide;propylbenzene
CID 142238516

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid?
The IUPAC name of 3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid (CID 68785004) is 3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid?
The canonical SMILES for 3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid is CC(=C[Si](C)(C)CCc1ccccc1)C(=O)O.
What is the InChIKey of 3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid?
The InChIKey is PSQXFLWXMNPMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2Si/c1-12(14(15)16)11-17(2,3)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,15,16).
What are the key properties of 3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid?
3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid has a molecular weight of 248.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(2-phenylethyl)silyl]-2-methylprop-2-enoic acid is sourced from PubChem (CID 68785004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).