trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate

C13H20O4Si — CID 553370

IUPACtrimethylsilyl 2-(2,3-dimethoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)O[Si](C)(C)C)c1OC
InChIInChI=1S/C13H20O4Si/c1-15-11-8-6-7-10(13(11)16-2)9-12(14)17-18(3,4)5/h6-8H,9H2,1-5H3
InChIKeyYDTJHTKBXANJIL-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.62
Rot. Bonds5

About trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate

trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate (PubChem CID 553370) has the molecular formula C13H20O4Si and a molecular weight of 268.38 g/mol. Its IUPAC name is trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate.

Molecular Properties

Compound Nametrimethylsilyl 2-(2,3-dimethoxyphenyl)acetate
PubChem CID553370
Molecular FormulaC13H20O4Si
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Nametrimethylsilyl 2-(2,3-dimethoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)O[Si](C)(C)C)c1OC
InChIInChI=1S/C13H20O4Si/c1-15-11-8-6-7-10(13(11)16-2)9-12(14)17-18(3,4)5/h6-8H,9H2,1-5H3
InChIKeyYDTJHTKBXANJIL-UHFFFAOYSA-N
XLogP2.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilyl 4-(2-methoxyphenyl)butanoate
CID 584242
trimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate
CID 5372919
(2,3-dimethoxyphenyl)methanesulfonic acid
CID 174487670
1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100
methyl (E)-7-(2,3-dimethoxyphenyl)hept-4-enoate
CID 11265908
(2-methoxyphenyl) 2-naphthalen-1-ylacetate
CID 836864
2-(2-ethoxy-3-methoxyphenyl)acetate
CID 7139419
(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid
CID 170997113
methyl 2-[3-methoxy-2-(1,2-oxazol-3-ylmethoxy)phenyl]acetate
CID 122142295
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55563336

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate?
The IUPAC name of trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate (CID 553370) is trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate.
What is the SMILES notation for trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate?
The canonical SMILES for trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate is COc1cccc(CC(=O)O[Si](C)(C)C)c1OC.
What is the InChIKey of trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate?
The InChIKey is YDTJHTKBXANJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4Si/c1-15-11-8-6-7-10(13(11)16-2)9-12(14)17-18(3,4)5/h6-8H,9H2,1-5H3.
What are the key properties of trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate?
trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate has a molecular weight of 268.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate is sourced from PubChem (CID 553370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).