3-phenylprop-2-enoic acid;trimethylsilane

C12H18O2Si — CID 175438890

IUPAC3-phenylprop-2-enoic acid;trimethylsilane
SMILESC[SiH](C)C.O=C(O)C=Cc1ccccc1
InChIInChI=1S/C9H8O2.C3H10Si/c10-9(11)7-6-8-4-2-1-3-5-8;1-4(2)3/h1-7H,(H,10,11);4H,1-3H3
InChIKeyTUFSQXKIUYBFAE-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.89
Rot. Bonds2

About 3-phenylprop-2-enoic acid;trimethylsilane

3-phenylprop-2-enoic acid;trimethylsilane (PubChem CID 175438890) has the molecular formula C12H18O2Si and a molecular weight of 222.36 g/mol. Its IUPAC name is 3-phenylprop-2-enoic acid;trimethylsilane.

Molecular Properties

Compound Name3-phenylprop-2-enoic acid;trimethylsilane
PubChem CID175438890
Molecular FormulaC12H18O2Si
Molecular Weight222.36 g/mol
Exact Mass222.11
IUPAC Name3-phenylprop-2-enoic acid;trimethylsilane
SMILESC[SiH](C)C.O=C(O)C=Cc1ccccc1
InChIInChI=1S/C9H8O2.C3H10Si/c10-9(11)7-6-8-4-2-1-3-5-8;1-4(2)3/h1-7H,(H,10,11);4H,1-3H3
InChIKeyTUFSQXKIUYBFAE-UHFFFAOYSA-N
XLogP2.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.89
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

(Z)-3-phenylprop-2-enoic acid
CID 5372954
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
CID 131855579
CID 131855579
azane;3-phenylprop-2-enoic acid
CID 66894546
ethane;methanamine;(E)-3-phenylprop-2-enoic acid
CID 142207731
ethanol;3-phenylprop-2-enoic acid
CID 158830805
2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 157125853
iron;2-methanidylpropane;(E)-3-phenylprop-2-enoic acid
CID 87966578
ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid
CID 141192681
diphenylmethanone;(E)-3-phenylprop-2-enoic acid
CID 70019468

Frequently Asked Questions

What is the IUPAC name of 3-phenylprop-2-enoic acid;trimethylsilane?
The IUPAC name of 3-phenylprop-2-enoic acid;trimethylsilane (CID 175438890) is 3-phenylprop-2-enoic acid;trimethylsilane.
What is the SMILES notation for 3-phenylprop-2-enoic acid;trimethylsilane?
The canonical SMILES for 3-phenylprop-2-enoic acid;trimethylsilane is C[SiH](C)C.O=C(O)C=Cc1ccccc1.
What is the InChIKey of 3-phenylprop-2-enoic acid;trimethylsilane?
The InChIKey is TUFSQXKIUYBFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.C3H10Si/c10-9(11)7-6-8-4-2-1-3-5-8;1-4(2)3/h1-7H,(H,10,11);4H,1-3H3.
What are the key properties of 3-phenylprop-2-enoic acid;trimethylsilane?
3-phenylprop-2-enoic acid;trimethylsilane has a molecular weight of 222.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylprop-2-enoic acid;trimethylsilane is sourced from PubChem (CID 175438890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).