trimethylsilyl 2-acetyloxy-4-methylbenzoate

C13H18O4Si — CID 91734092

IUPACtrimethylsilyl 2-acetyloxy-4-methylbenzoate
SMILESCC(=O)Oc1cc(C)ccc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H18O4Si/c1-9-6-7-11(12(8-9)16-10(2)14)13(15)17-18(3,4)5/h6-8H,1-5H3
InChIKeyRRGHVRRPYVRODZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.91
Rot. Bonds3

About trimethylsilyl 2-acetyloxy-4-methylbenzoate

trimethylsilyl 2-acetyloxy-4-methylbenzoate (PubChem CID 91734092) has the molecular formula C13H18O4Si and a molecular weight of 266.37 g/mol. Its IUPAC name is trimethylsilyl 2-acetyloxy-4-methylbenzoate.

Molecular Properties

Compound Nametrimethylsilyl 2-acetyloxy-4-methylbenzoate
PubChem CID91734092
Molecular FormulaC13H18O4Si
Molecular Weight266.37 g/mol
Exact Mass266.10
IUPAC Nametrimethylsilyl 2-acetyloxy-4-methylbenzoate
SMILESCC(=O)Oc1cc(C)ccc1C(=O)O[Si](C)(C)C
InChIInChI=1S/C13H18O4Si/c1-9-6-7-11(12(8-9)16-10(2)14)13(15)17-18(3,4)5/h6-8H,1-5H3
InChIKeyRRGHVRRPYVRODZ-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 4-methyl-2-trimethylsilyloxybenzoate
CID 528664
[5-methyl-2-[3-(4-methylphenyl)prop-2-ynoyl]phenyl] acetate
CID 154710336
trimethylsilyl 4-acetyloxy-3-methylbenzoate
CID 91734163
[2-(2-acetyloxy-4-methylphenyl)-2-oxoethyl] acetate
CID 175144478
2-acetyloxy-4-methylbenzenesulfonic acid
CID 19387707
ethyl 2-acetyloxy-4-aminobenzoate
CID 90384758
phenyl 2-acetyloxy-5-methylbenzoate
CID 139745245
methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
trimethylsilyl 2-methylbenzoate
CID 577266
[4-methyl-2-(2-methyloxiran-2-yl)phenyl] acetate
CID 12543275
(E)-3-(2,6-diacetyloxy-4-methylphenyl)prop-2-enoic acid
CID 58123080

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-acetyloxy-4-methylbenzoate?
The IUPAC name of trimethylsilyl 2-acetyloxy-4-methylbenzoate (CID 91734092) is trimethylsilyl 2-acetyloxy-4-methylbenzoate.
What is the SMILES notation for trimethylsilyl 2-acetyloxy-4-methylbenzoate?
The canonical SMILES for trimethylsilyl 2-acetyloxy-4-methylbenzoate is CC(=O)Oc1cc(C)ccc1C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-acetyloxy-4-methylbenzoate?
The InChIKey is RRGHVRRPYVRODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4Si/c1-9-6-7-11(12(8-9)16-10(2)14)13(15)17-18(3,4)5/h6-8H,1-5H3.
What are the key properties of trimethylsilyl 2-acetyloxy-4-methylbenzoate?
trimethylsilyl 2-acetyloxy-4-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 2-acetyloxy-4-methylbenzoate is sourced from PubChem (CID 91734092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).