2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid

C15H22O4Si — CID 67781302

IUPAC2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccccc1OCOC(C)[Si](C)(C)C
InChIInChI=1S/C15H22O4Si/c1-11(15(16)17)13-8-6-7-9-14(13)19-10-18-12(2)20(3,4)5/h6-9,12H,1,10H2,2-5H3,(H,16,17)
InChIKeyQGFZQIXOOQAXQJ-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.40
Rot. Bonds7

About 2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid

2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid (PubChem CID 67781302) has the molecular formula C15H22O4Si and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid
PubChem CID67781302
Molecular FormulaC15H22O4Si
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Name2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccccc1OCOC(C)[Si](C)(C)C
InChIInChI=1S/C15H22O4Si/c1-11(15(16)17)13-8-6-7-9-14(13)19-10-18-12(2)20(3,4)5/h6-9,12H,1,10H2,2-5H3,(H,16,17)
InChIKeyQGFZQIXOOQAXQJ-UHFFFAOYSA-N
XLogP3.40
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(fluoromethoxy)phenyl]prop-2-enoic acid
CID 175017346
ethane;2-(1-methylsulfanylethenoxymethoxy)benzoic acid
CID 142824040
2-(2-propan-2-yloxyethoxy)benzoic acid
CID 28604902
2-[2-[2-(1-carboxyethenyl)phenyl]phenyl]prop-2-enoic acid
CID 91538841
2-[2-(2-propan-2-yloxyethylamino)ethoxy]benzoic acid
CID 103266487
1-(2-ethoxyphenyl)-2-methylpropan-1-one
CID 62800406
2,2-difluoro-1-[2-(methoxymethoxy)phenyl]ethanone
CID 171367812
tert-butyl 2-(2-phenylmethoxyphenyl)prop-2-enoate
CID 174495508
4-(2-methoxycarbonylphenoxy)-2-methylidene-4-oxobutanoic acid
CID 91321141
2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 43532277
1-[2-[2-(1-phenylethoxy)ethoxy]phenyl]ethanone
CID 62031613
2-[[1-(2-ethoxyphenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82101024

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid?
The IUPAC name of 2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid (CID 67781302) is 2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for 2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for 2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid is C=C(C(=O)O)c1ccccc1OCOC(C)[Si](C)(C)C.
What is the InChIKey of 2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid?
The InChIKey is QGFZQIXOOQAXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4Si/c1-11(15(16)17)13-8-6-7-9-14(13)19-10-18-12(2)20(3,4)5/h6-9,12H,1,10H2,2-5H3,(H,16,17).
What are the key properties of 2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid?
2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid has a molecular weight of 294.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-trimethylsilylethoxymethoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 67781302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).