2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid

C13H18O2Si — CID 131723379

IUPAC2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid
SMILESC=CCc1ccc(C(C(=O)O)[SiH](C)C)cc1
InChIInChI=1S/C13H18O2Si/c1-4-5-10-6-8-11(9-7-10)12(13(14)15)16(2)3/h4,6-9,12,16H,1,5H2,2-3H3,(H,14,15)
InChIKeyBQZJZRSEBPEHKD-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.61
Rot. Bonds5

About 2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid

2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid (PubChem CID 131723379) has the molecular formula C13H18O2Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid.

Molecular Properties

Compound Name2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid
PubChem CID131723379
Molecular FormulaC13H18O2Si
Molecular Weight234.37 g/mol
Exact Mass234.11
IUPAC Name2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid
SMILESC=CCc1ccc(C(C(=O)O)[SiH](C)C)cc1
InChIInChI=1S/C13H18O2Si/c1-4-5-10-6-8-11(9-7-10)12(13(14)15)16(2)3/h4,6-9,12,16H,1,5H2,2-3H3,(H,14,15)
InChIKeyBQZJZRSEBPEHKD-UHFFFAOYSA-N
XLogP2.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

di(propan-2-yl)-(4-prop-2-enylphenyl)silane
CID 174736513
1,2-bis[4-(4-prop-2-enylphenyl)phenyl]ethane-1,2-dione
CID 67848404
4-prop-2-enylbenzenesulfonic acid
CID 19098643
2-(4-prop-2-enylphenyl)propanenitrile
CID 70598222
buta-1,3-diene;ethenyl acetate;prop-2-enylbenzene
CID 175320174
2-methylprop-1-ene;prop-2-enylbenzene
CID 142174904
3-chloro-1-(4-prop-2-enylphenyl)propan-1-ol
CID 70173310
2-fluoroacetic acid;prop-2-enylbenzene
CID 174702554
prop-2-enylbenzene
CID 159998516
bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
methane;1-methyl-4-prop-2-enylbenzene
CID 165001357
sodium 4-prop-2-enylphenolate
CID 23693215

Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid?
The IUPAC name of 2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid (CID 131723379) is 2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid.
What is the SMILES notation for 2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid?
The canonical SMILES for 2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid is C=CCc1ccc(C(C(=O)O)[SiH](C)C)cc1.
What is the InChIKey of 2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid?
The InChIKey is BQZJZRSEBPEHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2Si/c1-4-5-10-6-8-11(9-7-10)12(13(14)15)16(2)3/h4,6-9,12,16H,1,5H2,2-3H3,(H,14,15).
What are the key properties of 2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid?
2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid has a molecular weight of 234.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilyl-2-(4-prop-2-enylphenyl)acetic acid is sourced from PubChem (CID 131723379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).