4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid

C13H16O3Si — CID 54001895

IUPAC4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid
SMILESC=C[Si](C)(C=C)COc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H16O3Si/c1-4-17(3,5-2)10-16-12-8-6-11(7-9-12)13(14)15/h4-9H,1-2,10H2,3H3,(H,14,15)
InChIKeyKMFBIFSGJYGARZ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.83
Rot. Bonds6

About 4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid

4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid (PubChem CID 54001895) has the molecular formula C13H16O3Si and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid.

Molecular Properties

Compound Name4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid
PubChem CID54001895
Molecular FormulaC13H16O3Si
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid
SMILESC=C[Si](C)(C=C)COc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H16O3Si/c1-4-17(3,5-2)10-16-12-8-6-11(7-9-12)13(14)15/h4-9H,1-2,10H2,3H3,(H,14,15)
InChIKeyKMFBIFSGJYGARZ-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;4-prop-2-enoxybenzoic acid
CID 174857047
4-[[ethenyl(dimethyl)silyl]methoxy]benzoyl chloride
CID 23455511
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CID 15390034
4-(4-formyloxybutoxy)benzoic acid
CID 143677137
4-[(Z)-4-(4-carboxyphenoxy)but-2-enoxy]benzoic acid
CID 90083122
4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid
CID 43214193
methane;4-(prop-2-enoyloxymethoxy)benzoic acid
CID 158280789
4-(4-pent-4-enoxyphenyl)benzoic acid
CID 19419405
bis(prop-1-ene);terephthalic acid
CID 159254525
4-(fluoromethoxy)benzoic acid
CID 21180271
4-(3-hydroxypropoxy)benzoic acid
CID 13423286
ethene;prop-1-ene;terephthalic acid
CID 70629697

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid?
The IUPAC name of 4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid (CID 54001895) is 4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid.
What is the SMILES notation for 4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid?
The canonical SMILES for 4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid is C=C[Si](C)(C=C)COc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid?
The InChIKey is KMFBIFSGJYGARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3Si/c1-4-17(3,5-2)10-16-12-8-6-11(7-9-12)13(14)15/h4-9H,1-2,10H2,3H3,(H,14,15).
What are the key properties of 4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid?
4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid has a molecular weight of 248.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid is sourced from PubChem (CID 54001895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).