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

C16H24O4Si — CID 132820359

IUPAC(Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid
SMILESC/C=C(\Oc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C16H24O4Si/c1-7-14(15(17)18)19-12-8-10-13(11-9-12)20-21(5,6)16(2,3)4/h7-11H,1-6H3,(H,17,18)/b14-7-
InChIKeyFNGFSRDWXALMJS-AUWJEWJLSA-N
MW308.45 g/mol
LogP4.44
Rot. Bonds5

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

(Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid (PubChem CID 132820359) has the molecular formula C16H24O4Si and a molecular weight of 308.45 g/mol. Its IUPAC name is (Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid
PubChem CID132820359
Molecular FormulaC16H24O4Si
Molecular Weight308.45 g/mol
Exact Mass308.14
IUPAC Name(Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid
SMILESC/C=C(\Oc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C16H24O4Si/c1-7-14(15(17)18)19-12-8-10-13(11-9-12)20-21(5,6)16(2,3)4/h7-11H,1-6H3,(H,17,18)/b14-7-
InChIKeyFNGFSRDWXALMJS-AUWJEWJLSA-N
XLogP4.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid with MolForge

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Related Compounds

2-[4-(trifluoromethyl)phenoxy]but-2-enoic acid
CID 154384674
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-hydroxyacetic acid
CID 167729087
[4-[tert-butyl(dimethyl)silyl]oxyphenyl] N-ethylcarbamate
CID 69186234
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 154164722
(E)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]hex-4-en-1-one
CID 146163201
2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-methoxyacetic acid
CID 167742574
1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]prop-2-yn-1-one
CID 86037081
[4-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]phenyl] 3,5-diaminobenzoate
CID 102025531
[4-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]phenyl] 3,5-diaminobenzoate
CID 102041833
(Z)-2-(3,4-difluorophenoxy)but-2-enoic acid
CID 90001858
ethyl 4-[tert-butyl(dimethyl)silyl]oxybenzoate
CID 11289003
tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane
CID 59440862

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid?
The IUPAC name of (Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid (CID 132820359) is (Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid.
What is the SMILES notation for (Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid?
The canonical SMILES for (Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid is C/C=C(\Oc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)O.
What is the InChIKey of (Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid?
The InChIKey is FNGFSRDWXALMJS-AUWJEWJLSA-N. The full InChI is InChI=1S/C16H24O4Si/c1-7-14(15(17)18)19-12-8-10-13(11-9-12)20-21(5,6)16(2,3)4/h7-11H,1-6H3,(H,17,18)/b14-7-.
What are the key properties of (Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid?
(Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid has a molecular weight of 308.45 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenoxy]but-2-enoic acid is sourced from PubChem (CID 132820359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).