4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid

C16H24O3Si — CID 67215564

IUPAC4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1CC=CC(=O)O
InChIInChI=1S/C16H24O3Si/c1-16(2,3)20(4,5)19-14-11-7-6-9-13(14)10-8-12-15(17)18/h6-9,11-12H,10H2,1-5H3,(H,17,18)
InChIKeyWODDLLAIEAVDMV-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.25
Rot. Bonds5

About 4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid

4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid (PubChem CID 67215564) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid.

Molecular Properties

Compound Name4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid
PubChem CID67215564
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Name4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid
SMILESCC(C)(C)[Si](C)(C)Oc1ccccc1CC=CC(=O)O
InChIInChI=1S/C16H24O3Si/c1-16(2,3)20(4,5)19-14-11-7-6-9-13(14)10-8-12-15(17)18/h6-9,11-12H,10H2,1-5H3,(H,17,18)
InChIKeyWODDLLAIEAVDMV-UHFFFAOYSA-N
XLogP4.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid?
The IUPAC name of 4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid (CID 67215564) is 4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid.
What is the SMILES notation for 4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid?
The canonical SMILES for 4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid is CC(C)(C)[Si](C)(C)Oc1ccccc1CC=CC(=O)O.
What is the InChIKey of 4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid?
The InChIKey is WODDLLAIEAVDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3Si/c1-16(2,3)20(4,5)19-14-11-7-6-9-13(14)10-8-12-15(17)18/h6-9,11-12H,10H2,1-5H3,(H,17,18).
What are the key properties of 4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid?
4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid has a molecular weight of 292.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]but-2-enoic acid is sourced from PubChem (CID 67215564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).