2-(benzylsilylmethyl)prop-2-enoic acid

C11H14O2Si — CID 173190867

IUPAC2-(benzylsilylmethyl)prop-2-enoic acid
SMILESC=C(C[SiH2]Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H14O2Si/c1-9(11(12)13)7-14-8-10-5-3-2-4-6-10/h2-6H,1,7-8,14H2,(H,12,13)
InChIKeyBXOBWSMWQPRVSF-UHFFFAOYSA-N
MW206.32 g/mol
LogP1.41
Rot. Bonds5

About 2-(benzylsilylmethyl)prop-2-enoic acid

2-(benzylsilylmethyl)prop-2-enoic acid (PubChem CID 173190867) has the molecular formula C11H14O2Si and a molecular weight of 206.32 g/mol. Its IUPAC name is 2-(benzylsilylmethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(benzylsilylmethyl)prop-2-enoic acid
PubChem CID173190867
Molecular FormulaC11H14O2Si
Molecular Weight206.32 g/mol
Exact Mass206.08
IUPAC Name2-(benzylsilylmethyl)prop-2-enoic acid
SMILESC=C(C[SiH2]Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H14O2Si/c1-9(11(12)13)7-14-8-10-5-3-2-4-6-10/h2-6H,1,7-8,14H2,(H,12,13)
InChIKeyBXOBWSMWQPRVSF-UHFFFAOYSA-N
XLogP1.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.32
LogP ≤ 51.41
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

sodium;2-benzylprop-2-enoic acid;hydride
CID 174441336
2-(benzylsulfonylmethyl)prop-2-enoic acid
CID 141473330
2-methylidene-12-phenyldodecanoic acid
CID 54253232
2-methylidene-4-(2-phenylphenyl)butanoic acid
CID 90170002
2-(naphthalen-1-ylmethyl)prop-2-enoic acid
CID 10059024
methyl 2-benzylprop-2-enoate
CID 575761
2-(chloromethyl)prop-2-enoic acid;methyl 2-benzylprop-2-enoate
CID 175543990
2-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103240670
2-phenylmethoxyprop-2-enoic acid
CID 14954752
N,N-dimethyl-1-phenylmethanamine;2-methylidenepentanoic acid
CID 173041614
2-benzylprop-2-enoic acid;(2R)-2-methyl-3-phenylpropanoic acid
CID 157160595
2-(2-benzylphenoxy)-2-oxoacetic acid
CID 141025614

Frequently Asked Questions

What is the IUPAC name of 2-(benzylsilylmethyl)prop-2-enoic acid?
The IUPAC name of 2-(benzylsilylmethyl)prop-2-enoic acid (CID 173190867) is 2-(benzylsilylmethyl)prop-2-enoic acid.
What is the SMILES notation for 2-(benzylsilylmethyl)prop-2-enoic acid?
The canonical SMILES for 2-(benzylsilylmethyl)prop-2-enoic acid is C=C(C[SiH2]Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-(benzylsilylmethyl)prop-2-enoic acid?
The InChIKey is BXOBWSMWQPRVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2Si/c1-9(11(12)13)7-14-8-10-5-3-2-4-6-10/h2-6H,1,7-8,14H2,(H,12,13).
What are the key properties of 2-(benzylsilylmethyl)prop-2-enoic acid?
2-(benzylsilylmethyl)prop-2-enoic acid has a molecular weight of 206.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsilylmethyl)prop-2-enoic acid is sourced from PubChem (CID 173190867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).