trimethylsilyl 4-acetyloxy-3-methylbenzoate

C13H18O4Si — CID 91734163

IUPACtrimethylsilyl 4-acetyloxy-3-methylbenzoate
SMILESCC(=O)Oc1ccc(C(=O)O[Si](C)(C)C)cc1C
InChIInChI=1S/C13H18O4Si/c1-9-8-11(13(15)17-18(3,4)5)6-7-12(9)16-10(2)14/h6-8H,1-5H3
InChIKeyQYIZHQAKWKVQCH-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.91
Rot. Bonds3

About trimethylsilyl 4-acetyloxy-3-methylbenzoate

trimethylsilyl 4-acetyloxy-3-methylbenzoate (PubChem CID 91734163) has the molecular formula C13H18O4Si and a molecular weight of 266.37 g/mol. Its IUPAC name is trimethylsilyl 4-acetyloxy-3-methylbenzoate.

Molecular Properties

Compound Nametrimethylsilyl 4-acetyloxy-3-methylbenzoate
PubChem CID91734163
Molecular FormulaC13H18O4Si
Molecular Weight266.37 g/mol
Exact Mass266.10
IUPAC Nametrimethylsilyl 4-acetyloxy-3-methylbenzoate
SMILESCC(=O)Oc1ccc(C(=O)O[Si](C)(C)C)cc1C
InChIInChI=1S/C13H18O4Si/c1-9-8-11(13(15)17-18(3,4)5)6-7-12(9)16-10(2)14/h6-8H,1-5H3
InChIKeyQYIZHQAKWKVQCH-UHFFFAOYSA-N
XLogP2.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trimethylsilyl 3-methyl-4-(2,2,2-trifluoroacetyl)oxybenzoate
CID 91741822
(4-carbonochloridoyl-2-methylphenyl) acetate
CID 88906755
trimethylsilyl 2-acetyloxy-4-methylbenzoate
CID 91734092
[4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate
CID 58960600
[4-[(4-acetyloxy-3-methylphenyl)-(3,4-dichlorophenyl)methyl]-2-methylphenyl] acetate
CID 110175364
(8-acetyloxyquinoxalin-5-yl) acetate
CID 119081746
(4-methylphenyl) 4-methoxy-3-methylbenzoate
CID 145312740
[4-(4-methoxy-3-methylphenyl)sulfinyl-2-methylphenyl] acetate
CID 89408252
bis[(4-acetyloxy-3-methylphenyl)methoxy]-oxophosphanium
CID 174479530
methyl 2,3-bis(2-acetyloxyphenyl)quinoxaline-6-carboxylate
CID 135017130
chloro 3,4-dimethylbenzoate
CID 174727966
(6-methyl-2-oxopyran-3-yl) acetate
CID 123886346

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 4-acetyloxy-3-methylbenzoate?
The IUPAC name of trimethylsilyl 4-acetyloxy-3-methylbenzoate (CID 91734163) is trimethylsilyl 4-acetyloxy-3-methylbenzoate.
What is the SMILES notation for trimethylsilyl 4-acetyloxy-3-methylbenzoate?
The canonical SMILES for trimethylsilyl 4-acetyloxy-3-methylbenzoate is CC(=O)Oc1ccc(C(=O)O[Si](C)(C)C)cc1C.
What is the InChIKey of trimethylsilyl 4-acetyloxy-3-methylbenzoate?
The InChIKey is QYIZHQAKWKVQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4Si/c1-9-8-11(13(15)17-18(3,4)5)6-7-12(9)16-10(2)14/h6-8H,1-5H3.
What are the key properties of trimethylsilyl 4-acetyloxy-3-methylbenzoate?
trimethylsilyl 4-acetyloxy-3-methylbenzoate has a molecular weight of 266.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 4-acetyloxy-3-methylbenzoate is sourced from PubChem (CID 91734163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).